Fluorine in PDB 5qy5: Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A

The structure of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A, PDB code: 5qy5 was solved by M.S.Weiss, J.Wollenhaupt, A.Metz, T.Barthel, G.M.A.Lima, A.Heine, U.Mueller, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.67 / 1.51
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.882, 81.851, 93.785, 90.00, 108.61, 90.00
R / Rfree (%)	21 / 21.1

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A (pdb code 5qy5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A, PDB code: 5qy5:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:33.1 occ:0.24 F2 B:SYA401 0.0 33.1 0.2 F2 B:SYA401 0.0 33.1 0.2 F2 B:SYA401 0.1 32.4 0.3 C2 B:SYA401 1.3 31.6 0.2 C2 B:SYA401 1.4 31.6 0.2 C2 B:SYA401 1.4 30.4 0.3 C3 B:SYA401 2.4 30.2 0.3 C3 B:SYA401 2.4 31.2 0.2 C3 B:SYA401 2.4 31.2 0.2 C1 B:SYA401 2.4 31.5 0.2 C1 B:SYA401 2.4 31.5 0.2 C1 B:SYA401 2.5 30.3 0.3 O1 B:SYA401 2.5 31.8 0.3 O1 B:SYA401 2.6 32.2 0.2 O1 B:SYA401 2.6 32.1 0.2 O B:SYA401 2.8 34.2 0.2 O B:SYA401 2.8 34.2 0.2 C7 B:SYA401 2.8 30.9 0.3 C7 B:SYA401 2.8 31.8 0.2 C7 B:SYA401 2.8 31.8 0.2 O B:SYA401 2.9 33.6 0.3 OG1 B:THR7 3.1 25.8 0.0 OG1 B:THR7 3.1 26.8 0.1 OG1 B:THR7 3.1 27.6 0.2 OG1 B:THR7 3.1 29.8 0.2 OG1 B:THR7 3.1 29.8 0.2 OG1 B:THR7 3.1 30.3 0.3 NE2 B:GLN70 3.2 23.7 0.0 NE2 B:GLN70 3.2 15.1 0.2 NE2 B:GLN70 3.2 20.6 0.1 C4 B:SYA401 3.6 28.8 0.3 C4 B:SYA401 3.6 30.1 0.2 C4 B:SYA401 3.6 30.1 0.2 C6 B:SYA401 3.6 31.4 0.2 C6 B:SYA401 3.6 31.4 0.2 C6 B:SYA401 3.7 30.1 0.3 CG2 B:THR7 3.9 28.3 0.2 CG2 B:THR7 3.9 27.1 0.1 CG2 B:THR7 3.9 25.8 0.0 C B:SYA401 3.9 34.7 0.2 C B:SYA401 3.9 34.7 0.2 CG2 B:THR7 4.0 31.0 0.2 CG2 B:THR7 4.0 31.0 0.2 CG2 B:THR7 4.0 31.7 0.3 O2 B:SYA401 4.0 31.6 0.3 C B:SYA401 4.0 34.1 0.3 CB B:THR7 4.0 25.8 0.0 CB B:THR7 4.0 26.6 0.1 CB B:THR7 4.0 27.1 0.2 O2 B:SYA401 4.1 32.3 0.2 O2 B:SYA401 4.1 32.3 0.2 CB B:THR7 4.1 29.2 0.2 CB B:THR7 4.1 29.2 0.2 CB B:THR7 4.1 29.6 0.3 C5 B:SYA401 4.1 30.0 0.2 C5 B:SYA401 4.1 30.0 0.2 C5 B:SYA401 4.1 28.6 0.3 CE2 B:TYR68 4.2 20.8 0.2 CE2 B:TYR68 4.3 22.4 0.1 CE2 B:TYR68 4.4 26.5 0.3 CE2 B:TYR68 4.4 26.0 0.2 CE2 B:TYR68 4.4 26.0 0.2 CE2 B:TYR68 4.4 22.6 0.0 CD B:GLN70 4.5 23.9 0.0 CD B:GLN70 4.5 17.9 0.2 CD B:GLN70 4.6 21.9 0.1 CD2 B:TYR68 4.6 20.8 0.2 CD2 B:TYR68 4.6 22.3 0.1 CD2 B:TYR68 4.6 22.6 0.0 CD2 B:TYR68 4.7 25.7 0.3 CD2 B:TYR68 4.7 25.4 0.2 CD2 B:TYR68 4.7 25.4 0.2 CA B:THR7 4.7 26.4 0.2 CA B:THR7 4.7 28.3 0.3 CA B:THR7 4.7 28.1 0.2 CA B:THR7 4.7 28.1 0.2 CA B:THR7 4.7 26.4 0.1 CA B:THR7 4.7 25.7 0.0 F B:SYA401 4.8 31.9 0.2 F B:SYA401 4.8 31.9 0.2 F B:SYA401 4.9 29.9 0.3

Fluorine binding site 2 out of 9 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:32.4 occ:0.28 F2 B:SYA401 0.0 32.4 0.3 F2 B:SYA401 0.1 33.1 0.2 F2 B:SYA401 0.1 33.1 0.2 C2 B:SYA401 1.3 31.6 0.2 C2 B:SYA401 1.3 31.6 0.2 C2 B:SYA401 1.4 30.4 0.3 C1 B:SYA401 2.3 31.5 0.2 C1 B:SYA401 2.3 31.5 0.2 C3 B:SYA401 2.4 30.2 0.3 C3 B:SYA401 2.4 31.2 0.2 C3 B:SYA401 2.4 31.2 0.2 C1 B:SYA401 2.4 30.3 0.3 O1 B:SYA401 2.6 31.8 0.3 O B:SYA401 2.7 34.2 0.2 O B:SYA401 2.7 34.2 0.2 O1 B:SYA401 2.7 32.2 0.2 O1 B:SYA401 2.7 32.1 0.2 O B:SYA401 2.8 33.6 0.3 C7 B:SYA401 2.8 30.9 0.3 C7 B:SYA401 2.9 31.8 0.2 C7 B:SYA401 2.9 31.8 0.2 OG1 B:THR7 3.1 25.8 0.0 OG1 B:THR7 3.1 26.8 0.1 OG1 B:THR7 3.1 27.6 0.2 OG1 B:THR7 3.1 29.8 0.2 OG1 B:THR7 3.1 29.8 0.2 OG1 B:THR7 3.1 30.3 0.3 NE2 B:GLN70 3.3 23.7 0.0 NE2 B:GLN70 3.3 15.1 0.2 NE2 B:GLN70 3.3 20.6 0.1 C6 B:SYA401 3.6 31.4 0.2 C6 B:SYA401 3.6 31.4 0.2 C4 B:SYA401 3.6 28.8 0.3 C4 B:SYA401 3.6 30.1 0.2 C4 B:SYA401 3.6 30.1 0.2 C6 B:SYA401 3.6 30.1 0.3 C B:SYA401 3.9 34.7 0.2 C B:SYA401 3.9 34.7 0.2 CG2 B:THR7 3.9 28.3 0.2 CG2 B:THR7 3.9 27.1 0.1 CG2 B:THR7 3.9 25.8 0.0 C B:SYA401 3.9 34.1 0.3 CG2 B:THR7 4.0 31.0 0.2 CG2 B:THR7 4.0 31.0 0.2 CG2 B:THR7 4.0 31.7 0.3 CB B:THR7 4.0 25.8 0.0 CB B:THR7 4.0 26.6 0.1 CB B:THR7 4.0 27.1 0.2 O2 B:SYA401 4.1 31.6 0.3 CB B:THR7 4.1 29.2 0.2 CB B:THR7 4.1 29.2 0.2 CB B:THR7 4.1 29.6 0.3 C5 B:SYA401 4.1 30.0 0.2 C5 B:SYA401 4.1 30.0 0.2 C5 B:SYA401 4.1 28.6 0.3 O2 B:SYA401 4.1 32.3 0.2 O2 B:SYA401 4.1 32.3 0.2 CE2 B:TYR68 4.3 20.8 0.2 CE2 B:TYR68 4.4 22.4 0.1 CE2 B:TYR68 4.4 26.5 0.3 CE2 B:TYR68 4.4 26.0 0.2 CE2 B:TYR68 4.4 26.0 0.2 CE2 B:TYR68 4.4 22.6 0.0 CD B:GLN70 4.6 23.9 0.0 CD2 B:TYR68 4.6 20.8 0.2 CD2 B:TYR68 4.6 22.3 0.1 CD B:GLN70 4.6 17.9 0.2 CD B:GLN70 4.6 21.9 0.1 CD2 B:TYR68 4.6 22.6 0.0 CD2 B:TYR68 4.7 25.7 0.3 CD2 B:TYR68 4.7 25.4 0.2 CD2 B:TYR68 4.7 25.4 0.2 CA B:THR7 4.7 26.4 0.2 CA B:THR7 4.7 28.3 0.3 CA B:THR7 4.7 28.1 0.2 CA B:THR7 4.7 28.1 0.2 CA B:THR7 4.7 26.4 0.1 CA B:THR7 4.7 25.7 0.0 F B:SYA401 4.7 31.9 0.2 F B:SYA401 4.7 31.9 0.2 F B:SYA401 4.8 29.9 0.3

Fluorine binding site 3 out of 9 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:33.1 occ:0.24 F2 B:SYA401 0.0 33.1 0.2 F2 B:SYA401 0.0 33.1 0.2 F2 B:SYA401 0.1 32.4 0.3 C2 B:SYA401 1.4 31.6 0.2 C2 B:SYA401 1.4 31.6 0.2 C2 B:SYA401 1.4 30.4 0.3 C3 B:SYA401 2.4 30.2 0.3 C3 B:SYA401 2.4 31.2 0.2 C3 B:SYA401 2.4 31.2 0.2 C1 B:SYA401 2.4 31.5 0.2 C1 B:SYA401 2.4 31.5 0.2 C1 B:SYA401 2.5 30.3 0.3 O1 B:SYA401 2.5 31.8 0.3 O1 B:SYA401 2.6 32.2 0.2 O1 B:SYA401 2.6 32.1 0.2 O B:SYA401 2.8 34.2 0.2 O B:SYA401 2.8 34.2 0.2 C7 B:SYA401 2.8 30.9 0.3 C7 B:SYA401 2.8 31.8 0.2 C7 B:SYA401 2.8 31.8 0.2 O B:SYA401 2.9 33.6 0.3 OG1 B:THR7 3.1 25.8 0.0 OG1 B:THR7 3.1 26.8 0.1 OG1 B:THR7 3.1 27.6 0.2 OG1 B:THR7 3.1 29.8 0.2 OG1 B:THR7 3.1 29.8 0.2 OG1 B:THR7 3.1 30.3 0.3 NE2 B:GLN70 3.2 23.7 0.0 NE2 B:GLN70 3.2 15.1 0.2 NE2 B:GLN70 3.2 20.6 0.1 C4 B:SYA401 3.6 28.8 0.3 C4 B:SYA401 3.6 30.1 0.2 C4 B:SYA401 3.6 30.1 0.2 C6 B:SYA401 3.6 31.4 0.2 C6 B:SYA401 3.6 31.4 0.2 C6 B:SYA401 3.7 30.1 0.3 CG2 B:THR7 3.9 28.3 0.2 CG2 B:THR7 3.9 27.1 0.1 CG2 B:THR7 3.9 25.8 0.0 C B:SYA401 3.9 34.7 0.2 CG2 B:THR7 4.0 31.0 0.2 CG2 B:THR7 4.0 31.0 0.2 C B:SYA401 4.0 34.7 0.2 CG2 B:THR7 4.0 31.7 0.3 O2 B:SYA401 4.0 31.6 0.3 C B:SYA401 4.0 34.1 0.3 CB B:THR7 4.0 25.8 0.0 CB B:THR7 4.0 26.6 0.1 CB B:THR7 4.0 27.1 0.2 O2 B:SYA401 4.1 32.3 0.2 O2 B:SYA401 4.1 32.3 0.2 CB B:THR7 4.1 29.2 0.2 CB B:THR7 4.1 29.2 0.2 CB B:THR7 4.1 29.6 0.3 C5 B:SYA401 4.1 30.0 0.2 C5 B:SYA401 4.1 30.0 0.2 C5 B:SYA401 4.1 28.6 0.3 CE2 B:TYR68 4.2 20.8 0.2 CE2 B:TYR68 4.3 22.4 0.1 CE2 B:TYR68 4.4 26.5 0.3 CE2 B:TYR68 4.4 26.0 0.2 CE2 B:TYR68 4.4 26.0 0.2 CE2 B:TYR68 4.4 22.6 0.0 CD B:GLN70 4.5 23.9 0.0 CD B:GLN70 4.5 17.9 0.2 CD B:GLN70 4.5 21.9 0.1 CD2 B:TYR68 4.6 20.8 0.2 CD2 B:TYR68 4.6 22.3 0.1 CD2 B:TYR68 4.6 22.6 0.0 CD2 B:TYR68 4.7 25.7 0.3 CD2 B:TYR68 4.7 25.4 0.2 CD2 B:TYR68 4.7 25.4 0.2 CA B:THR7 4.7 26.4 0.2 CA B:THR7 4.7 28.3 0.3 CA B:THR7 4.7 28.1 0.2 CA B:THR7 4.7 28.1 0.2 CA B:THR7 4.7 26.4 0.1 CA B:THR7 4.7 25.7 0.0 F B:SYA401 4.8 31.9 0.2 F B:SYA401 4.8 31.9 0.2 F B:SYA401 4.9 29.9 0.3 CZ B:TYR68 5.0 20.2 0.2

Fluorine binding site 4 out of 9 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:29.8 occ:0.24 F1 B:SYA401 0.0 29.8 0.2 F1 B:SYA401 0.0 29.8 0.2 F1 B:SYA401 0.1 28.5 0.3 C5 B:SYA401 1.3 28.6 0.3 C5 B:SYA401 1.3 30.0 0.2 C5 B:SYA401 1.3 30.0 0.2 C6 B:SYA401 2.3 30.1 0.3 C6 B:SYA401 2.3 31.4 0.2 C6 B:SYA401 2.3 31.4 0.2 C4 B:SYA401 2.4 30.1 0.2 C4 B:SYA401 2.4 30.1 0.2 C4 B:SYA401 2.4 28.8 0.3 F B:SYA401 2.5 29.9 0.3 F B:SYA401 2.6 31.9 0.2 F B:SYA401 2.6 31.9 0.2 OE1 B:GLU83 2.8 27.3 0.2 OE1 B:GLU83 2.9 29.1 0.1 OE1 B:GLU83 3.0 29.9 0.0 CG B:GLU83 3.2 28.3 0.2 CG B:GLU83 3.2 29.4 0.1 CG B:GLU83 3.2 29.9 0.0 CB B:GLU83 3.2 30.1 0.2 CB B:GLU83 3.2 30.1 0.2 CB B:GLU83 3.2 30.1 0.3 CB B:GLU83 3.2 29.9 0.0 CB B:GLU83 3.2 29.6 0.1 CB B:GLU83 3.2 28.8 0.2 CG B:GLU83 3.2 30.3 0.2 CG B:GLU83 3.2 30.3 0.2 CG B:GLU83 3.2 30.3 0.3 CD1 B:TYR68 3.4 26.2 0.2 CD1 B:TYR68 3.4 26.2 0.2 CD1 B:TYR68 3.4 26.7 0.3 CD B:GLU83 3.4 27.5 0.2 CD B:GLU83 3.5 29.1 0.1 CD1 B:PHE89 3.5 27.4 0.2 CD1 B:PHE89 3.5 27.4 0.2 C1 B:SYA401 3.5 30.3 0.3 CD1 B:PHE89 3.5 26.7 0.3 CD B:GLU83 3.5 29.9 0.0 CD1 B:PHE89 3.6 33.4 0.0 CD1 B:PHE89 3.6 31.9 0.1 CE1 B:TYR68 3.6 27.2 0.3 CE1 B:TYR68 3.6 26.6 0.2 CE1 B:TYR68 3.6 26.6 0.2 C1 B:SYA401 3.6 31.5 0.2 CD1 B:PHE89 3.6 28.3 0.2 C1 B:SYA401 3.6 31.5 0.2 CD1 B:TYR68 3.6 22.6 0.0 C3 B:SYA401 3.6 30.2 0.3 C3 B:SYA401 3.6 31.2 0.2 C3 B:SYA401 3.6 31.2 0.2 CD1 B:TYR68 3.6 22.4 0.1 CD1 B:TYR68 3.7 20.9 0.2 OE1 B:GLU83 3.7 30.8 0.3 OE1 B:GLU83 3.7 30.7 0.2 OE1 B:GLU83 3.7 30.7 0.2 CG B:TYR68 3.9 24.6 0.2 CG B:TYR68 3.9 24.6 0.2 CG B:TYR68 3.9 24.8 0.3 CG B:TYR68 3.9 22.5 0.0 CG B:TYR68 4.0 22.2 0.1 CE1 B:TYR68 4.0 22.6 0.0 CG B:TYR68 4.0 20.8 0.2 CE1 B:TYR68 4.0 22.4 0.1 CD B:GLU83 4.0 29.9 0.2 CD B:GLU83 4.0 29.9 0.2 CD B:GLU83 4.0 29.9 0.3 CE1 B:TYR68 4.0 20.8 0.2 C2 B:SYA401 4.1 30.4 0.3 C2 B:SYA401 4.1 31.6 0.2 C2 B:SYA401 4.1 31.6 0.2 CZ B:TYR68 4.2 27.6 0.3 CE1 B:PHE89 4.2 26.9 0.2 CE1 B:PHE89 4.2 26.9 0.2 CZ B:TYR68 4.2 26.9 0.2 CZ B:TYR68 4.2 26.9 0.2 CE1 B:PHE89 4.2 26.0 0.3 CE1 B:PHE89 4.3 33.4 0.0 CE1 B:PHE89 4.3 31.8 0.1 CE1 B:PHE89 4.3 27.7 0.2 CB B:TYR68 4.4 22.5 0.0 CB B:TYR68 4.4 22.2 0.1 CD2 B:TYR68 4.4 25.7 0.3 CB B:TYR68 4.4 23.4 0.2 CB B:TYR68 4.4 23.4 0.2 CB B:TYR68 4.4 21.0 0.2 CB B:TYR68 4.4 23.4 0.3 CD2 B:TYR68 4.4 25.4 0.2 CD2 B:TYR68 4.4 25.4 0.2 CG B:PHE89 4.5 27.9 0.2 CG B:PHE89 4.5 27.9 0.2 CG B:PHE89 4.5 27.1 0.3 CD2 B:TYR68 4.5 20.8 0.2 CD2 B:TYR68 4.5 22.3 0.1 CG B:PHE89 4.5 33.5 0.0 CA B:PHE89 4.5 30.2 0.3 CA B:PHE89 4.5 30.7 0.2 CA B:PHE89 4.5 30.7 0.2 CD2 B:TYR68 4.5 22.6 0.0 CZ B:TYR68 4.5 20.2 0.2 CA B:PHE89 4.5 33.6 0.0 CA B:PHE89 4.6 33.0 0.1 CA B:PHE89 4.6 31.1 0.2 CG B:PHE89 4.6 32.1 0.1 CZ B:TYR68 4.6 22.3 0.1 CG B:PHE89 4.6 28.7 0.2 CZ B:TYR68 4.6 22.6 0.0 CA B:GLU83 4.6 30.0 0.0 CA B:GLU83 4.6 29.1 0.2 CA B:GLU83 4.6 29.7 0.1 CA B:GLU83 4.6 29.7 0.2 CA B:GLU83 4.6 29.7 0.2 CA B:GLU83 4.6 29.6 0.3 CB B:PHE89 4.6 28.9 0.2 CB B:PHE89 4.6 28.9 0.2 CB B:PHE89 4.6 28.2 0.3 CE2 B:TYR68 4.6 26.5 0.3 CB B:PHE89 4.6 33.5 0.0 CB B:PHE89 4.6 32.5 0.1 CE2 B:TYR68 4.6 26.0 0.2 CE2 B:TYR68 4.6 26.0 0.2 CB B:PHE89 4.6 29.6 0.2 O B:SYA401 4.6 33.6 0.3 OE2 B:GLU83 4.6 27.5 0.2 OE2 B:GLU83 4.7 29.1 0.1 O B:SYA401 4.7 34.2 0.2 O B:SYA401 4.7 34.2 0.2 CE B:LYS88 4.7 36.4 0.3 CE B:LYS88 4.8 36.6 0.2 CE B:LYS88 4.8 36.6 0.2 OE2 B:GLU83 4.8 29.9 0.0 CE2 B:TYR68 4.8 20.8 0.2 CE2 B:TYR68 4.8 22.4 0.1 CE2 B:TYR68 4.8 22.6 0.0 CE B:LYS88 4.8 35.6 0.2 CE B:LYS88 4.8 35.6 0.0 CE B:LYS88 4.8 36.1 0.1 C7 B:SYA401 4.9 31.8 0.2 C7 B:SYA401 4.9 31.8 0.2 C7 B:SYA401 4.9 30.9 0.3 NZ B:LYS88 5.0 37.3 0.3 OH B:TYR68 5.0 28.7 0.3 NZ B:LYS88 5.0 37.5 0.2 NZ B:LYS88 5.0 37.5 0.2

Fluorine binding site 5 out of 9 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:28.5 occ:0.28 F1 B:SYA401 0.0 28.5 0.3 F1 B:SYA401 0.1 29.8 0.2 F1 B:SYA401 0.1 29.8 0.2 C5 B:SYA401 1.3 28.6 0.3 C5 B:SYA401 1.4 30.0 0.2 C5 B:SYA401 1.4 30.0 0.2 C6 B:SYA401 2.3 30.1 0.3 C4 B:SYA401 2.4 30.1 0.2 C4 B:SYA401 2.4 30.1 0.2 C4 B:SYA401 2.4 28.8 0.3 C6 B:SYA401 2.4 31.4 0.2 C6 B:SYA401 2.4 31.4 0.2 F B:SYA401 2.6 29.9 0.3 F B:SYA401 2.7 31.9 0.2 F B:SYA401 2.7 31.9 0.2 OE1 B:GLU83 2.8 27.3 0.2 OE1 B:GLU83 2.9 29.1 0.1 OE1 B:GLU83 3.0 29.9 0.0 CG B:GLU83 3.1 28.3 0.2 CG B:GLU83 3.1 29.4 0.1 CG B:GLU83 3.1 29.9 0.0 CB B:GLU83 3.1 30.1 0.2 CB B:GLU83 3.1 30.1 0.2 CB B:GLU83 3.1 30.1 0.3 CB B:GLU83 3.2 29.9 0.0 CB B:GLU83 3.2 29.6 0.1 CG B:GLU83 3.2 30.3 0.2 CG B:GLU83 3.2 30.3 0.2 CB B:GLU83 3.2 28.8 0.2 CG B:GLU83 3.2 30.3 0.3 CD B:GLU83 3.3 27.5 0.2 CD1 B:TYR68 3.4 26.2 0.2 CD1 B:TYR68 3.4 26.2 0.2 CD1 B:TYR68 3.4 26.7 0.3 CD B:GLU83 3.4 29.1 0.1 CD B:GLU83 3.5 29.9 0.0 CE1 B:TYR68 3.5 27.2 0.3 CD1 B:PHE89 3.5 27.4 0.2 CD1 B:PHE89 3.5 27.4 0.2 CD1 B:PHE89 3.6 26.7 0.3 CE1 B:TYR68 3.6 26.6 0.2 CE1 B:TYR68 3.6 26.6 0.2 C1 B:SYA401 3.6 30.3 0.3 CD1 B:PHE89 3.6 33.4 0.0 CD1 B:PHE89 3.6 31.9 0.1 CD1 B:TYR68 3.6 22.6 0.0 CD1 B:PHE89 3.6 28.3 0.2 CD1 B:TYR68 3.6 22.4 0.1 OE1 B:GLU83 3.6 30.8 0.3 C3 B:SYA401 3.6 30.2 0.3 OE1 B:GLU83 3.6 30.7 0.2 OE1 B:GLU83 3.6 30.7 0.2 C3 B:SYA401 3.6 31.2 0.2 C3 B:SYA401 3.6 31.2 0.2 C1 B:SYA401 3.6 31.5 0.2 C1 B:SYA401 3.7 31.5 0.2 CD1 B:TYR68 3.7 20.9 0.2 CG B:TYR68 3.9 24.6 0.2 CG B:TYR68 3.9 24.6 0.2 CG B:TYR68 3.9 24.8 0.3 CD B:GLU83 3.9 29.9 0.2 CD B:GLU83 3.9 29.9 0.2 CD B:GLU83 3.9 29.9 0.3 CE1 B:TYR68 3.9 22.6 0.0 CE1 B:TYR68 3.9 22.4 0.1 CE1 B:TYR68 4.0 20.8 0.2 CG B:TYR68 4.0 22.5 0.0 CG B:TYR68 4.0 22.2 0.1 CG B:TYR68 4.0 20.8 0.2 C2 B:SYA401 4.1 30.4 0.3 C2 B:SYA401 4.1 31.6 0.2 C2 B:SYA401 4.1 31.6 0.2 CZ B:TYR68 4.2 27.6 0.3 CZ B:TYR68 4.2 26.9 0.2 CZ B:TYR68 4.2 26.9 0.2 CE1 B:PHE89 4.3 26.9 0.2 CE1 B:PHE89 4.3 26.9 0.2 CE1 B:PHE89 4.3 26.0 0.3 CE1 B:PHE89 4.3 33.4 0.0 CE1 B:PHE89 4.3 31.8 0.1 CE1 B:PHE89 4.3 27.7 0.2 CB B:TYR68 4.4 22.5 0.0 CB B:TYR68 4.4 22.2 0.1 CD2 B:TYR68 4.4 25.7 0.3 CD2 B:TYR68 4.5 25.4 0.2 CD2 B:TYR68 4.5 25.4 0.2 CB B:TYR68 4.5 23.4 0.2 CB B:TYR68 4.5 23.4 0.2 CB B:TYR68 4.5 21.0 0.2 CB B:TYR68 4.5 23.4 0.3 CA B:GLU83 4.5 30.0 0.0 CA B:GLU83 4.5 29.1 0.2 CA B:GLU83 4.5 29.7 0.1 CA B:GLU83 4.5 29.7 0.2 CA B:GLU83 4.5 29.7 0.2 CA B:GLU83 4.5 29.6 0.3 CG B:PHE89 4.5 27.9 0.2 CG B:PHE89 4.5 27.9 0.2 CZ B:TYR68 4.5 20.2 0.2 CG B:PHE89 4.5 27.1 0.3 CD2 B:TYR68 4.5 20.8 0.2 CZ B:TYR68 4.5 22.3 0.1 CZ B:TYR68 4.5 22.6 0.0 CD2 B:TYR68 4.6 22.3 0.1 CG B:PHE89 4.6 33.5 0.0 CA B:PHE89 4.6 30.2 0.3 CA B:PHE89 4.6 30.7 0.2 CA B:PHE89 4.6 30.7 0.2 CD2 B:TYR68 4.6 22.6 0.0 OE2 B:GLU83 4.6 27.5 0.2 CA B:PHE89 4.6 33.6 0.0 CA B:PHE89 4.6 31.1 0.2 CA B:PHE89 4.6 33.0 0.1 CG B:PHE89 4.6 32.1 0.1 CG B:PHE89 4.6 28.7 0.2 CB B:PHE89 4.6 28.9 0.2 CB B:PHE89 4.6 28.9 0.2 CE2 B:TYR68 4.6 26.5 0.3 CB B:PHE89 4.6 28.2 0.3 CB B:PHE89 4.6 33.5 0.0 CB B:PHE89 4.6 32.5 0.1 CE2 B:TYR68 4.6 26.0 0.2 CE2 B:TYR68 4.6 26.0 0.2 OE2 B:GLU83 4.6 29.1 0.1 CB B:PHE89 4.6 29.6 0.2 O B:SYA401 4.7 33.6 0.3 OE2 B:GLU83 4.7 29.9 0.0 CE B:LYS88 4.7 36.4 0.3 CE B:LYS88 4.7 36.6 0.2 CE B:LYS88 4.7 36.6 0.2 O B:SYA401 4.8 34.2 0.2 O B:SYA401 4.8 34.2 0.2 CE2 B:TYR68 4.8 20.8 0.2 CE B:LYS88 4.8 35.6 0.2 CE2 B:TYR68 4.8 22.4 0.1 CE B:LYS88 4.8 35.6 0.0 CE B:LYS88 4.8 36.1 0.1 CE2 B:TYR68 4.8 22.6 0.0 C7 B:SYA401 4.9 31.8 0.2 C7 B:SYA401 4.9 31.8 0.2 C7 B:SYA401 4.9 30.9 0.3 NZ B:LYS88 4.9 37.3 0.3 OH B:TYR68 4.9 28.7 0.3 NZ B:LYS88 5.0 37.5 0.2 NZ B:LYS88 5.0 37.5 0.2 OH B:TYR68 5.0 27.9 0.2 OH B:TYR68 5.0 27.9 0.2

Fluorine binding site 6 out of 9 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:29.8 occ:0.24 F1 B:SYA401 0.0 29.8 0.2 F1 B:SYA401 0.0 29.8 0.2 F1 B:SYA401 0.1 28.5 0.3 C5 B:SYA401 1.3 28.6 0.3 C5 B:SYA401 1.3 30.0 0.2 C5 B:SYA401 1.3 30.0 0.2 C6 B:SYA401 2.2 30.1 0.3 C6 B:SYA401 2.3 31.4 0.2 C6 B:SYA401 2.3 31.4 0.2 C4 B:SYA401 2.4 30.1 0.2 C4 B:SYA401 2.4 30.1 0.2 C4 B:SYA401 2.4 28.8 0.3 F B:SYA401 2.5 29.9 0.3 F B:SYA401 2.6 31.9 0.2 F B:SYA401 2.6 31.9 0.2 OE1 B:GLU83 2.8 27.3 0.2 OE1 B:GLU83 2.9 29.1 0.1 OE1 B:GLU83 3.0 29.9 0.0 CG B:GLU83 3.2 28.3 0.2 CG B:GLU83 3.2 29.4 0.1 CG B:GLU83 3.2 29.9 0.0 CB B:GLU83 3.2 30.1 0.2 CB B:GLU83 3.2 30.1 0.2 CB B:GLU83 3.2 30.1 0.3 CB B:GLU83 3.2 29.9 0.0 CB B:GLU83 3.2 29.6 0.1 CB B:GLU83 3.2 28.8 0.2 CG B:GLU83 3.2 30.3 0.2 CG B:GLU83 3.2 30.3 0.2 CG B:GLU83 3.3 30.3 0.3 CD1 B:TYR68 3.4 26.2 0.2 CD1 B:TYR68 3.4 26.2 0.2 CD1 B:TYR68 3.4 26.7 0.3 CD B:GLU83 3.4 27.5 0.2 CD B:GLU83 3.5 29.1 0.1 CD1 B:PHE89 3.5 27.4 0.2 CD1 B:PHE89 3.5 27.4 0.2 C1 B:SYA401 3.5 30.3 0.3 CD1 B:PHE89 3.5 26.7 0.3 CD B:GLU83 3.5 29.9 0.0 CD1 B:PHE89 3.6 33.4 0.0 CD1 B:PHE89 3.6 31.9 0.1 CE1 B:TYR68 3.6 27.2 0.3 CE1 B:TYR68 3.6 26.6 0.2 CE1 B:TYR68 3.6 26.6 0.2 C1 B:SYA401 3.6 31.5 0.2 C1 B:SYA401 3.6 31.5 0.2 CD1 B:PHE89 3.6 28.3 0.2 CD1 B:TYR68 3.6 22.6 0.0 C3 B:SYA401 3.6 30.2 0.3 C3 B:SYA401 3.6 31.2 0.2 C3 B:SYA401 3.6 31.2 0.2 CD1 B:TYR68 3.6 22.4 0.1 CD1 B:TYR68 3.7 20.9 0.2 OE1 B:GLU83 3.7 30.8 0.3 OE1 B:GLU83 3.7 30.7 0.2 OE1 B:GLU83 3.7 30.7 0.2 CG B:TYR68 3.9 24.6 0.2 CG B:TYR68 3.9 24.6 0.2 CG B:TYR68 3.9 24.8 0.3 CG B:TYR68 3.9 22.5 0.0 CG B:TYR68 4.0 22.2 0.1 CE1 B:TYR68 4.0 22.6 0.0 CG B:TYR68 4.0 20.8 0.2 CE1 B:TYR68 4.0 22.4 0.1 CD B:GLU83 4.0 29.9 0.2 CD B:GLU83 4.0 29.9 0.2 CD B:GLU83 4.0 29.9 0.3 CE1 B:TYR68 4.0 20.8 0.2 C2 B:SYA401 4.1 30.4 0.3 C2 B:SYA401 4.1 31.6 0.2 C2 B:SYA401 4.1 31.6 0.2 CZ B:TYR68 4.2 27.6 0.3 CE1 B:PHE89 4.2 26.9 0.2 CE1 B:PHE89 4.2 26.9 0.2 CZ B:TYR68 4.2 26.9 0.2 CE1 B:PHE89 4.2 26.0 0.3 CZ B:TYR68 4.2 26.9 0.2 CE1 B:PHE89 4.3 33.4 0.0 CE1 B:PHE89 4.3 31.8 0.1 CE1 B:PHE89 4.3 27.7 0.2 CB B:TYR68 4.4 22.5 0.0 CB B:TYR68 4.4 22.2 0.1 CD2 B:TYR68 4.4 25.7 0.3 CB B:TYR68 4.4 23.4 0.2 CB B:TYR68 4.4 23.4 0.2 CB B:TYR68 4.4 21.0 0.2 CB B:TYR68 4.4 23.4 0.3 CD2 B:TYR68 4.4 25.4 0.2 CD2 B:TYR68 4.4 25.4 0.2 CG B:PHE89 4.5 27.9 0.2 CG B:PHE89 4.5 27.9 0.2 CG B:PHE89 4.5 27.1 0.3 CD2 B:TYR68 4.5 20.8 0.2 CD2 B:TYR68 4.5 22.3 0.1 CG B:PHE89 4.5 33.5 0.0 CA B:PHE89 4.5 30.2 0.3 CA B:PHE89 4.5 30.7 0.2 CA B:PHE89 4.5 30.7 0.2 CD2 B:TYR68 4.5 22.6 0.0 CZ B:TYR68 4.5 20.2 0.2 CA B:PHE89 4.5 33.6 0.0 CA B:PHE89 4.6 33.0 0.1 CA B:PHE89 4.6 31.1 0.2 CG B:PHE89 4.6 32.1 0.1 CZ B:TYR68 4.6 22.3 0.1 CG B:PHE89 4.6 28.7 0.2 CZ B:TYR68 4.6 22.6 0.0 CA B:GLU83 4.6 30.0 0.0 CA B:GLU83 4.6 29.1 0.2 CA B:GLU83 4.6 29.7 0.1 CA B:GLU83 4.6 29.7 0.2 CA B:GLU83 4.6 29.7 0.2 CA B:GLU83 4.6 29.6 0.3 CB B:PHE89 4.6 28.9 0.2 CB B:PHE89 4.6 28.9 0.2 CE2 B:TYR68 4.6 26.5 0.3 CB B:PHE89 4.6 28.2 0.3 CB B:PHE89 4.6 33.5 0.0 CB B:PHE89 4.6 32.5 0.1 CE2 B:TYR68 4.6 26.0 0.2 CE2 B:TYR68 4.6 26.0 0.2 O B:SYA401 4.6 33.6 0.3 CB B:PHE89 4.6 29.6 0.2 OE2 B:GLU83 4.6 27.5 0.2 OE2 B:GLU83 4.7 29.1 0.1 O B:SYA401 4.7 34.2 0.2 O B:SYA401 4.7 34.2 0.2 CE B:LYS88 4.7 36.4 0.3 CE B:LYS88 4.8 36.6 0.2 CE B:LYS88 4.8 36.6 0.2 OE2 B:GLU83 4.8 29.9 0.0 CE2 B:TYR68 4.8 20.8 0.2 CE2 B:TYR68 4.8 22.4 0.1 CE2 B:TYR68 4.8 22.6 0.0 CE B:LYS88 4.8 35.6 0.2 CE B:LYS88 4.8 35.6 0.0 CE B:LYS88 4.8 36.1 0.1 C7 B:SYA401 4.9 31.8 0.2 C7 B:SYA401 4.9 31.8 0.2 C7 B:SYA401 4.9 30.9 0.3 NZ B:LYS88 5.0 37.3 0.3 OH B:TYR68 5.0 28.7 0.3 NZ B:LYS88 5.0 37.5 0.2 NZ B:LYS88 5.0 37.5 0.2

Fluorine binding site 7 out of 9 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:31.9 occ:0.24 F B:SYA401 0.0 31.9 0.2 F B:SYA401 0.0 31.9 0.2 F B:SYA401 0.2 29.9 0.3 C6 B:SYA401 1.3 30.1 0.3 C6 B:SYA401 1.3 31.4 0.2 C6 B:SYA401 1.3 31.4 0.2 C1 B:SYA401 2.3 30.3 0.3 C5 B:SYA401 2.3 30.0 0.2 C5 B:SYA401 2.3 30.0 0.2 C5 B:SYA401 2.4 28.6 0.3 C1 B:SYA401 2.4 31.5 0.2 C1 B:SYA401 2.4 31.5 0.2 F1 B:SYA401 2.6 29.8 0.2 F1 B:SYA401 2.6 29.8 0.2 O B:SYA401 2.6 33.6 0.3 C B:SYA401 2.7 34.1 0.3 F1 B:SYA401 2.7 28.5 0.3 O B:SYA401 2.8 34.2 0.2 O B:SYA401 2.8 34.2 0.2 C B:SYA401 2.8 34.7 0.2 C B:SYA401 2.8 34.7 0.2 CG2 B:ILE92 3.4 34.5 0.2 CG2 B:ILE92 3.4 34.6 0.1 CG2 B:ILE92 3.4 34.2 0.0 CG2 B:ILE92 3.4 36.2 0.3 CG2 B:ILE92 3.4 36.1 0.2 CG2 B:ILE92 3.4 36.1 0.2 CG B:PRO5 3.4 21.9 0.2 CG B:PRO5 3.4 22.7 0.1 CG B:PRO5 3.4 22.4 0.0 CG B:PRO5 3.5 23.3 0.2 CG B:PRO5 3.5 23.3 0.2 CG B:PRO5 3.5 23.4 0.3 C2 B:SYA401 3.6 30.4 0.3 C4 B:SYA401 3.6 30.1 0.2 C4 B:SYA401 3.6 30.1 0.2 C4 B:SYA401 3.6 28.8 0.3 C2 B:SYA401 3.6 31.6 0.2 C2 B:SYA401 3.6 31.6 0.2 CB B:TYR68 3.7 22.5 0.0 CB B:TYR68 3.7 22.2 0.1 CB B:TYR68 3.7 23.4 0.2 CB B:TYR68 3.7 23.4 0.2 CB B:TYR68 3.7 23.4 0.3 CB B:TYR68 3.7 21.0 0.2 CG B:TYR68 3.8 24.6 0.2 CG B:TYR68 3.8 24.6 0.2 CG B:TYR68 3.8 24.8 0.3 CG B:TYR68 3.9 20.8 0.2 CG B:TYR68 3.9 22.2 0.1 CG B:TYR68 3.9 22.5 0.0 CB B:PRO5 4.1 23.0 0.3 CB B:PRO5 4.1 23.0 0.2 CB B:PRO5 4.1 23.0 0.2 CB B:PRO5 4.1 21.7 0.2 CB B:PRO5 4.1 22.7 0.1 C3 B:SYA401 4.1 30.2 0.3 CB B:PRO5 4.1 22.5 0.0 CB B:ILE92 4.1 34.4 0.2 CB B:ILE92 4.1 34.2 0.0 CB B:ILE92 4.1 34.6 0.1 C3 B:SYA401 4.1 31.2 0.2 C3 B:SYA401 4.1 31.2 0.2 CB B:ILE92 4.1 36.0 0.2 CB B:ILE92 4.1 36.0 0.2 CB B:ILE92 4.1 36.2 0.3 CD2 B:TYR68 4.2 20.8 0.2 CD1 B:PHE89 4.2 27.4 0.2 CD1 B:PHE89 4.2 27.4 0.2 CD1 B:PHE89 4.2 26.7 0.3 CD1 B:PHE89 4.2 33.4 0.0 CD1 B:PHE89 4.2 31.9 0.1 CD2 B:TYR68 4.2 25.7 0.3 CD2 B:TYR68 4.2 25.4 0.2 CD2 B:TYR68 4.2 25.4 0.2 CD2 B:TYR68 4.2 22.3 0.1 CD1 B:PHE89 4.2 28.3 0.2 CD1 B:TYR68 4.3 26.2 0.2 CD1 B:TYR68 4.3 26.2 0.2 CD1 B:TYR68 4.3 26.7 0.3 CD2 B:TYR68 4.3 22.6 0.0 CE1 B:PHE89 4.3 26.9 0.2 CE1 B:PHE89 4.3 26.9 0.2 CE1 B:PHE89 4.3 26.0 0.3 CE1 B:PHE89 4.3 33.4 0.0 CE1 B:PHE89 4.4 31.8 0.1 CG1 B:ILE92 4.4 35.1 0.2 CE1 B:PHE89 4.4 27.7 0.2 CG1 B:ILE92 4.4 35.0 0.1 CG1 B:ILE92 4.4 34.3 0.0 CD1 B:TYR68 4.5 22.6 0.0 CD1 B:TYR68 4.5 22.4 0.1 CD1 B:TYR68 4.5 20.9 0.2 CG1 B:ILE92 4.5 37.8 0.2 CG1 B:ILE92 4.5 37.8 0.2 CG1 B:ILE92 4.5 38.2 0.3 F2 B:SYA401 4.7 32.4 0.3 F2 B:SYA401 4.8 33.1 0.2 F2 B:SYA401 4.8 33.1 0.2 CD B:PRO5 4.8 21.4 0.2 CD B:PRO5 4.8 22.3 0.1 CD B:PRO5 4.8 22.2 0.0 CD B:PRO5 4.8 22.2 0.2 CD B:PRO5 4.8 22.2 0.2 CD B:PRO5 4.8 22.2 0.3 CD1 B:ILE92 4.9 36.0 0.2 O B:PRO5 4.9 23.1 0.0 CE2 B:TYR68 4.9 20.8 0.2 CE2 B:TYR68 5.0 26.5 0.3 CE2 B:TYR68 5.0 26.0 0.2 CE2 B:TYR68 5.0 26.0 0.2 CE1 B:TYR68 5.0 27.2 0.3 CE1 B:TYR68 5.0 26.6 0.2 CE1 B:TYR68 5.0 26.6 0.2 O B:PRO5 5.0 23.2 0.2 O B:PRO5 5.0 23.2 0.2

Fluorine binding site 8 out of 9 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:29.9 occ:0.28 F B:SYA401 0.0 29.9 0.3 F B:SYA401 0.2 31.9 0.2 F B:SYA401 0.2 31.9 0.2 C6 B:SYA401 1.3 30.1 0.3 C6 B:SYA401 1.4 31.4 0.2 C6 B:SYA401 1.4 31.4 0.2 C5 B:SYA401 2.3 30.0 0.2 C5 B:SYA401 2.3 30.0 0.2 C5 B:SYA401 2.3 28.6 0.3 C1 B:SYA401 2.4 30.3 0.3 C1 B:SYA401 2.5 31.5 0.2 C1 B:SYA401 2.5 31.5 0.2 F1 B:SYA401 2.5 29.8 0.2 F1 B:SYA401 2.5 29.8 0.2 F1 B:SYA401 2.6 28.5 0.3 O B:SYA401 2.8 33.6 0.3 C B:SYA401 2.9 34.1 0.3 O B:SYA401 2.9 34.2 0.2 O B:SYA401 2.9 34.2 0.2 C B:SYA401 3.0 34.7 0.2 C B:SYA401 3.0 34.7 0.2 CG2 B:ILE92 3.4 34.5 0.2 CG2 B:ILE92 3.5 34.6 0.1 CG B:PRO5 3.5 22.4 0.0 CG B:PRO5 3.5 22.7 0.1 CG B:PRO5 3.5 21.9 0.2 CG2 B:ILE92 3.5 34.2 0.0 CG B:PRO5 3.5 23.3 0.2 CG B:PRO5 3.5 23.3 0.2 CG B:PRO5 3.5 23.4 0.3 CG2 B:ILE92 3.5 36.2 0.3 CG2 B:ILE92 3.5 36.1 0.2 CG2 B:ILE92 3.5 36.1 0.2 C4 B:SYA401 3.6 30.1 0.2 C4 B:SYA401 3.6 30.1 0.2 C4 B:SYA401 3.6 28.8 0.3 C2 B:SYA401 3.7 30.4 0.3 CB B:TYR68 3.7 22.5 0.0 CB B:TYR68 3.7 22.2 0.1 CB B:TYR68 3.7 23.4 0.2 CB B:TYR68 3.7 23.4 0.2 CB B:TYR68 3.7 23.4 0.3 CB B:TYR68 3.7 21.0 0.2 C2 B:SYA401 3.7 31.6 0.2 C2 B:SYA401 3.7 31.6 0.2 CG B:TYR68 3.8 24.6 0.2 CG B:TYR68 3.8 24.6 0.2 CG B:TYR68 3.8 24.8 0.3 CG B:TYR68 3.9 20.8 0.2 CG B:TYR68 3.9 22.2 0.1 CG B:TYR68 3.9 22.5 0.0 CD1 B:PHE89 4.0 27.4 0.2 CD1 B:PHE89 4.0 27.4 0.2 CD1 B:PHE89 4.0 26.7 0.3 CD1 B:PHE89 4.1 33.4 0.0 CD1 B:PHE89 4.1 31.9 0.1 CD1 B:PHE89 4.1 28.3 0.2 CB B:ILE92 4.1 34.4 0.2 CB B:ILE92 4.1 34.2 0.0 CB B:ILE92 4.1 34.6 0.1 C3 B:SYA401 4.1 30.2 0.3 CB B:ILE92 4.1 36.0 0.2 CB B:ILE92 4.1 36.0 0.2 CB B:ILE92 4.1 36.2 0.3 CB B:PRO5 4.1 23.0 0.3 CB B:PRO5 4.1 23.0 0.2 CB B:PRO5 4.1 23.0 0.2 C3 B:SYA401 4.1 31.2 0.2 C3 B:SYA401 4.1 31.2 0.2 CB B:PRO5 4.2 21.7 0.2 CB B:PRO5 4.2 22.7 0.1 CB B:PRO5 4.2 22.5 0.0 CE1 B:PHE89 4.2 26.9 0.2 CE1 B:PHE89 4.2 26.9 0.2 CD1 B:TYR68 4.2 26.2 0.2 CD1 B:TYR68 4.2 26.2 0.2 CD1 B:TYR68 4.2 26.7 0.3 CE1 B:PHE89 4.2 26.0 0.3 CD2 B:TYR68 4.2 20.8 0.2 CE1 B:PHE89 4.2 33.4 0.0 CE1 B:PHE89 4.2 31.8 0.1 CD2 B:TYR68 4.3 25.7 0.3 CD2 B:TYR68 4.3 25.4 0.2 CD2 B:TYR68 4.3 25.4 0.2 CD2 B:TYR68 4.3 22.3 0.1 CE1 B:PHE89 4.3 27.7 0.2 CD2 B:TYR68 4.3 22.6 0.0 CG1 B:ILE92 4.4 35.1 0.2 CD1 B:TYR68 4.4 22.6 0.0 CD1 B:TYR68 4.4 22.4 0.1 CD1 B:TYR68 4.4 20.9 0.2 CG1 B:ILE92 4.4 35.0 0.1 CG1 B:ILE92 4.4 34.3 0.0 CG1 B:ILE92 4.5 37.8 0.2 CG1 B:ILE92 4.5 37.8 0.2 CG1 B:ILE92 4.5 38.2 0.3 CD B:PRO5 4.8 21.4 0.2 CD B:PRO5 4.8 22.3 0.1 CD B:PRO5 4.8 22.2 0.0 CD B:PRO5 4.8 22.2 0.2 CD B:PRO5 4.8 22.2 0.2 CD B:PRO5 4.8 22.2 0.3 F2 B:SYA401 4.8 32.4 0.3 F2 B:SYA401 4.9 33.1 0.2 F2 B:SYA401 4.9 33.1 0.2 CE1 B:TYR68 4.9 27.2 0.3 CE1 B:TYR68 4.9 26.6 0.2 CE1 B:TYR68 4.9 26.6 0.2 CE2 B:TYR68 5.0 26.5 0.3 CE2 B:TYR68 5.0 20.8 0.2 CE2 B:TYR68 5.0 26.0 0.2 CE2 B:TYR68 5.0 26.0 0.2 CD1 B:ILE92 5.0 36.0 0.2

Fluorine binding site 9 out of 9 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry C02A within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:31.9 occ:0.24 F B:SYA401 0.0 31.9 0.2 F B:SYA401 0.0 31.9 0.2 F B:SYA401 0.2 29.9 0.3 C6 B:SYA401 1.3 30.1 0.3 C6 B:SYA401 1.3 31.4 0.2 C6 B:SYA401 1.3 31.4 0.2 C1 B:SYA401 2.3 30.3 0.3 C5 B:SYA401 2.3 30.0 0.2 C5 B:SYA401 2.3 30.0 0.2 C5 B:SYA401 2.4 28.6 0.3 C1 B:SYA401 2.4 31.5 0.2 C1 B:SYA401 2.4 31.5 0.2 F1 B:SYA401 2.6 29.8 0.2 F1 B:SYA401 2.6 29.8 0.2 O B:SYA401 2.6 33.6 0.3 C B:SYA401 2.7 34.1 0.3 F1 B:SYA401 2.7 28.5 0.3 O B:SYA401 2.8 34.2 0.2 O B:SYA401 2.8 34.2 0.2 C B:SYA401 2.8 34.7 0.2 C B:SYA401 2.8 34.7 0.2 CG2 B:ILE92 3.4 34.5 0.2 CG2 B:ILE92 3.4 34.6 0.1 CG2 B:ILE92 3.4 34.2 0.0 CG2 B:ILE92 3.4 36.2 0.3 CG2 B:ILE92 3.4 36.1 0.2 CG2 B:ILE92 3.4 36.1 0.2 CG B:PRO5 3.4 21.9 0.2 CG B:PRO5 3.4 22.7 0.1 CG B:PRO5 3.4 22.4 0.0 CG B:PRO5 3.5 23.3 0.2 CG B:PRO5 3.5 23.3 0.2 CG B:PRO5 3.5 23.4 0.3 C2 B:SYA401 3.6 30.4 0.3 C4 B:SYA401 3.6 30.1 0.2 C4 B:SYA401 3.6 30.1 0.2 C4 B:SYA401 3.6 28.8 0.3 C2 B:SYA401 3.6 31.6 0.2 C2 B:SYA401 3.6 31.6 0.2 CB B:TYR68 3.7 22.5 0.0 CB B:TYR68 3.7 22.2 0.1 CB B:TYR68 3.7 23.4 0.2 CB B:TYR68 3.7 23.4 0.2 CB B:TYR68 3.7 23.4 0.3 CB B:TYR68 3.7 21.0 0.2 CG B:TYR68 3.8 24.6 0.2 CG B:TYR68 3.8 24.6 0.2 CG B:TYR68 3.8 24.8 0.3 CG B:TYR68 3.9 20.8 0.2 CG B:TYR68 3.9 22.2 0.1 CG B:TYR68 3.9 22.5 0.0 CB B:PRO5 4.1 23.0 0.3 CB B:PRO5 4.1 23.0 0.2 CB B:PRO5 4.1 23.0 0.2 CB B:PRO5 4.1 21.7 0.2 CB B:PRO5 4.1 22.7 0.1 C3 B:SYA401 4.1 30.2 0.3 CB B:PRO5 4.1 22.5 0.0 CB B:ILE92 4.1 34.4 0.2 CB B:ILE92 4.1 34.2 0.0 CB B:ILE92 4.1 34.6 0.1 C3 B:SYA401 4.1 31.2 0.2 C3 B:SYA401 4.1 31.2 0.2 CB B:ILE92 4.1 36.0 0.2 CB B:ILE92 4.1 36.0 0.2 CB B:ILE92 4.1 36.2 0.3 CD2 B:TYR68 4.2 20.8 0.2 CD1 B:PHE89 4.2 27.4 0.2 CD1 B:PHE89 4.2 27.4 0.2 CD1 B:PHE89 4.2 26.7 0.3 CD1 B:PHE89 4.2 33.4 0.0 CD1 B:PHE89 4.2 31.9 0.1 CD2 B:TYR68 4.2 25.7 0.3 CD2 B:TYR68 4.2 25.4 0.2 CD2 B:TYR68 4.2 25.4 0.2 CD2 B:TYR68 4.2 22.3 0.1 CD1 B:PHE89 4.2 28.3 0.2 CD1 B:TYR68 4.3 26.2 0.2 CD1 B:TYR68 4.3 26.2 0.2 CD1 B:TYR68 4.3 26.7 0.3 CD2 B:TYR68 4.3 22.6 0.0 CE1 B:PHE89 4.3 26.9 0.2 CE1 B:PHE89 4.3 26.9 0.2 CE1 B:PHE89 4.3 26.0 0.3 CE1 B:PHE89 4.3 33.4 0.0 CE1 B:PHE89 4.4 31.8 0.1 CG1 B:ILE92 4.4 35.1 0.2 CE1 B:PHE89 4.4 27.7 0.2 CG1 B:ILE92 4.4 35.0 0.1 CG1 B:ILE92 4.4 34.3 0.0 CD1 B:TYR68 4.5 22.6 0.0 CD1 B:TYR68 4.5 22.4 0.1 CD1 B:TYR68 4.5 20.9 0.2 CG1 B:ILE92 4.5 37.8 0.2 CG1 B:ILE92 4.5 37.8 0.2 CG1 B:ILE92 4.5 38.2 0.3 F2 B:SYA401 4.7 32.4 0.3 F2 B:SYA401 4.8 33.1 0.2 F2 B:SYA401 4.8 33.1 0.2 CD B:PRO5 4.8 21.4 0.2 CD B:PRO5 4.8 22.3 0.1 CD B:PRO5 4.8 22.2 0.0 CD B:PRO5 4.8 22.2 0.2 CD B:PRO5 4.8 22.2 0.2 CD B:PRO5 4.8 22.2 0.3 CD1 B:ILE92 4.9 36.0 0.2 O B:PRO5 4.9 23.1 0.0 CE2 B:TYR68 4.9 20.8 0.2 CE2 B:TYR68 5.0 26.5 0.3 CE2 B:TYR68 5.0 26.0 0.2 CE2 B:TYR68 5.0 26.0 0.2 CE1 B:TYR68 5.0 27.2 0.3 CE1 B:TYR68 5.0 26.6 0.2 CE1 B:TYR68 5.0 26.6 0.2 O B:PRO5 5.0 23.2 0.2 O B:PRO5 5.0 23.2 0.2

J.Wollenhaupt, A.Metz, T.Barthel, G.M.A.Lima, A.Heine, U.Mueller, G.Klebe, M.S.Weiss. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries For Crystallographic Fragment Screening. Structure V. 28 694 2020.
ISSN: ISSN 0969-2126
PubMed: 32413289
DOI: 10.1016/J.STR.2020.04.019