Fluorine in PDB 7ft0: Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614

The structure of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614, PDB code: 7ft0 was solved by W.J.Bradshaw, V.L.Katis, C.Bountra, F.Von Delft, P.E.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.76 / 2.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.894, 49.566, 115.233, 90, 94.95, 90
R / Rfree (%)	20.8 / 27.4

The binding sites of Fluorine atom in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614 (pdb code 7ft0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614, PDB code: 7ft0:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614 within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:56.8 occ:1.00 F C:RWP301 0.0 56.8 1.0 C9 C:RWP301 1.4 64.2 1.0 F1 C:RWP301 2.2 71.6 1.0 F2 C:RWP301 2.3 53.0 1.0 C8 C:RWP301 2.4 65.0 1.0 O1 C:RWP301 2.6 66.2 1.0 N C:PHE213 2.8 29.4 1.0 CA C:ILE212 3.3 32.6 1.0 O C:PHE213 3.4 33.6 1.0 CD1 C:PHE213 3.4 27.5 1.0 C C:ILE212 3.5 29.7 1.0 CG2 C:ILE212 3.6 38.6 1.0 N C:RWP301 3.7 61.6 1.0 CE1 C:PHE213 3.8 27.1 1.0 CA C:PHE213 3.8 32.4 1.0 CG C:PHE213 4.0 28.8 1.0 CB C:ILE212 4.0 38.6 1.0 C C:PHE213 4.0 31.9 1.0 CD1 C:ILE212 4.1 51.5 1.0 O C:PHE211 4.3 28.2 1.0 CB C:PHE213 4.4 30.2 1.0 N C:ILE212 4.5 32.8 1.0 CZ C:PHE213 4.5 27.0 1.0 CG1 C:ILE212 4.7 43.1 1.0 O C:ILE212 4.7 27.7 1.0 CD2 C:PHE213 4.7 27.1 1.0 O D:HOH503 4.8 37.1 1.0 C C:PHE211 4.8 31.9 1.0 C5 C:RWP301 4.9 64.6 1.0 CE2 C:PHE213 4.9 28.1 1.0

Fluorine binding site 2 out of 3 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614 within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:71.6 occ:1.00 F1 C:RWP301 0.0 71.6 1.0 C9 C:RWP301 1.4 64.2 1.0 F C:RWP301 2.2 56.8 1.0 F2 C:RWP301 2.3 53.0 1.0 C8 C:RWP301 2.4 65.0 1.0 O D:HOH503 2.7 37.1 1.0 N C:RWP301 3.2 61.6 1.0 O1 C:RWP301 3.2 66.2 1.0 O D:THR206 3.7 42.0 1.0 CA D:THR206 4.1 40.0 1.0 C D:THR206 4.1 38.8 1.0 O D:SER205 4.3 44.9 1.0 CD1 C:ILE212 4.3 51.5 1.0 C5 C:RWP301 4.5 64.6 1.0 CG2 C:ILE212 4.6 38.6 1.0 O C:PHE213 4.8 33.6 1.0 CB D:THR206 4.9 40.9 1.0 N C:PHE213 4.9 29.4 1.0 CA C:ILE212 5.0 32.6 1.0

Fluorine binding site 3 out of 3 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z56767614 within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:53.0 occ:1.00 F2 C:RWP301 0.0 53.0 1.0 C9 C:RWP301 1.4 64.2 1.0 F C:RWP301 2.3 56.8 1.0 F1 C:RWP301 2.3 71.6 1.0 C8 C:RWP301 2.5 65.0 1.0 N C:RWP301 3.0 61.6 1.0 CE1 C:PHE213 3.4 27.1 1.0 CZ C:PHE213 3.5 27.0 1.0 O1 C:RWP301 3.5 66.2 1.0 CD1 C:PHE213 3.8 27.5 1.0 O C:PHE213 3.9 33.6 1.0 CA D:THR206 3.9 40.0 1.0 CE2 C:PHE213 4.0 28.1 1.0 CB D:THR206 4.1 40.9 1.0 CG C:PHE213 4.3 28.8 1.0 CD2 C:PHE213 4.4 27.1 1.0 CG2 D:THR206 4.4 39.5 1.0 C5 C:RWP301 4.4 64.6 1.0 O D:THR206 4.4 42.0 1.0 N C:PHE213 4.5 29.4 1.0 C D:THR206 4.6 38.8 1.0 O D:SER205 4.6 44.9 1.0 C C:PHE213 4.7 31.9 1.0 O D:HOH503 4.9 37.1 1.0 CB C:ALA255 4.9 37.9 1.0 N D:THR206 4.9 41.6 1.0

W.J.Bradshaw, V.L.Katis, C.Bountra, F.Von Delft, P.E.Brennan. Sdcbp Pandda Analysis Group Deposition To Be Published.