Fluorine in PDB 6da1: ETS1 in Complex with Synthetic Srr Mimic

The structure of ETS1 in Complex with Synthetic Srr Mimic, PDB code: 6da1 was solved by C.Perez-Borrajero, M.Okon, C.S.Lin, K.Scheu, M.E.P.Murphy, B.J.Graves, L.P.Mcintosh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.78 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	75.330, 75.330, 115.331, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 24.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Fluorine atom in the ETS1 in Complex with Synthetic Srr Mimic (pdb code 6da1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 20 binding sites of Fluorine where determined in the ETS1 in Complex with Synthetic Srr Mimic, PDB code: 6da1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F283 b:59.7 occ:1.00 FD1 C:PF5283 0.0 59.7 1.0 CD1 C:PF5283 1.3 60.0 1.0 CE1 C:PF5283 2.3 60.3 1.0 CG C:PF5283 2.4 59.9 1.0 HB3 C:PF5283 2.5 78.0 1.0 FE1 C:PF5283 2.7 62.0 1.0 CB C:PF5283 2.8 65.0 1.0 N C:PF5283 3.1 75.1 1.0 HB B:THR330 3.1 64.8 1.0 O B:HOH629 3.2 50.5 1.0 O B:HOH671 3.3 69.1 1.0 O C:PRO281 3.5 91.4 1.0 HA C:SEP282 3.5 1.0 1.0 CA C:PF5283 3.6 71.6 1.0 CZ C:PF5283 3.6 58.5 1.0 CD2 C:PF5283 3.6 57.1 1.0 HB2 C:PF5283 3.7 78.0 1.0 HZ2 B:TRP338 3.8 56.2 1.0 C C:SEP282 3.9 86.8 1.0 HG21 B:THR330 4.0 64.9 1.0 CB B:THR330 4.0 54.0 1.0 CE2 C:PF5283 4.1 56.8 1.0 CA C:SEP282 4.2 90.0 1.0 HG22 B:THR330 4.2 64.9 1.0 HA C:PF5283 4.2 85.9 1.0 CG2 B:THR330 4.3 54.1 1.0 CZ2 B:TRP338 4.4 46.9 1.0 C C:PRO281 4.5 91.6 1.0 OG1 B:THR330 4.7 51.9 1.0 FZ C:PF5283 4.7 58.8 1.0 C C:PF5283 4.7 72.6 1.0 FD2 C:PF5283 4.7 57.3 1.0 O C:SEP282 4.8 86.1 1.0 N C:SEP282 4.8 90.2 1.0 HH2 B:TRP338 4.8 55.2 1.0 O B:THR330 4.9 57.5 1.0 O C:PF5283 4.9 69.2 1.0 HA B:THR330 5.0 65.1 1.0 CH2 B:TRP338 5.0 46.0 1.0

Fluorine binding site 2 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F283 b:57.3 occ:1.00 FD2 C:PF5283 0.0 57.3 1.0 CD2 C:PF5283 1.3 57.1 1.0 CE2 C:PF5283 2.3 56.8 1.0 CG C:PF5283 2.4 59.9 1.0 HB2 C:PF5283 2.6 78.0 1.0 FE2 C:PF5283 2.7 56.5 1.0 CB C:PF5283 2.8 65.0 1.0 HA C:PF5283 3.0 85.9 1.0 FZ C:PF5286 3.0 50.4 1.0 FE1 C:PF5286 3.2 50.1 1.0 NE1 B:TRP338 3.3 44.4 1.0 HE1 B:TRP338 3.3 53.3 1.0 CA C:PF5283 3.4 71.6 1.0 HG13 B:ILE401 3.4 75.3 1.0 HG21 B:ILE401 3.5 68.9 1.0 CD1 B:TRP338 3.5 44.1 1.0 HE2 B:TYR396 3.5 52.5 1.0 CZ C:PF5283 3.6 58.5 1.0 CE2 B:TRP338 3.6 45.0 1.0 CD1 C:PF5283 3.6 60.0 1.0 HB3 C:PF5283 3.7 78.0 1.0 HD1 B:TRP338 3.8 53.0 1.0 HD12 B:ILE401 3.9 77.2 1.0 CZ C:PF5286 4.0 50.7 1.0 CG B:TRP338 4.0 43.2 1.0 CD2 B:TRP338 4.0 43.5 1.0 CE1 C:PF5286 4.0 49.5 1.0 CE1 C:PF5283 4.1 60.3 1.0 CZ2 B:TRP338 4.2 46.9 1.0 CG1 B:ILE401 4.3 62.8 1.0 CG2 B:ILE401 4.3 57.4 1.0 CE2 B:TYR396 4.3 43.8 1.0 HG23 B:ILE401 4.3 68.9 1.0 N C:PF5283 4.3 75.1 1.0 HD11 B:ILE401 4.4 77.2 1.0 HZ2 B:TRP338 4.4 56.2 1.0 CD1 B:ILE401 4.4 64.4 1.0 O C:SEP282 4.4 86.1 1.0 HD2 B:TYR396 4.5 54.5 1.0 C C:PF5283 4.5 72.6 1.0 OE1 B:GLN336 4.5 45.9 1.0 FZ C:PF5283 4.7 58.8 1.0 HB3 B:TRP338 4.7 49.9 1.0 FD1 C:PF5283 4.7 59.7 1.0 C C:SEP282 4.7 86.8 1.0 HH B:TYR396 4.8 49.7 1.0 CD2 B:TYR396 4.8 45.5 1.0 O C:PF5283 4.8 69.2 1.0 CB B:ILE401 4.9 59.9 1.0 CB B:TRP338 4.9 41.6 1.0 CE3 B:TRP338 4.9 43.9 1.0 HG12 B:ILE401 5.0 75.3 1.0

Fluorine binding site 3 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F283 b:62.0 occ:1.00 FE1 C:PF5283 0.0 62.0 1.0 CE1 C:PF5283 1.4 60.3 1.0 CZ C:PF5283 2.4 58.5 1.0 CD1 C:PF5283 2.4 60.0 1.0 FD1 C:PF5283 2.7 59.7 1.0 FZ C:PF5283 2.7 58.8 1.0 O C:PRO281 3.1 91.4 1.0 HD13 B:LEU421 3.2 66.3 1.0 HD22 B:LEU421 3.2 70.0 1.0 HD11 B:LEU421 3.4 66.3 1.0 HD21 B:LEU421 3.4 70.0 1.0 HG22 B:THR330 3.4 64.9 1.0 HG2 C:PRO281 3.5 0.7 1.0 HG21 B:THR330 3.5 64.9 1.0 HH2 B:TRP338 3.6 55.2 1.0 CE2 C:PF5283 3.6 56.8 1.0 CG C:PF5283 3.7 59.9 1.0 HD2 C:PRO281 3.7 0.1 1.0 CD1 B:LEU421 3.7 55.3 1.0 CD2 B:LEU421 3.7 58.3 1.0 CG2 B:THR330 3.9 54.1 1.0 CH2 B:TRP338 4.0 46.0 1.0 HZ2 B:TRP338 4.0 56.2 1.0 HB B:THR330 4.1 64.8 1.0 CD2 C:PF5283 4.1 57.1 1.0 C C:PRO281 4.2 91.6 1.0 CZ2 B:TRP338 4.2 46.9 1.0 CG C:PRO281 4.3 84.8 1.0 CD C:PRO281 4.3 85.9 1.0 CG B:LEU421 4.4 56.0 1.0 HD12 B:LEU421 4.5 66.3 1.0 N C:PRO281 4.6 89.1 1.0 CB B:THR330 4.6 54.0 1.0 HD23 B:LEU421 4.6 70.0 1.0 HG23 B:THR330 4.7 64.9 1.0 FE2 C:PF5283 4.7 56.5 1.0 HA C:SEP282 4.8 1.0 1.0 CA C:PRO281 4.9 91.2 1.0 HB3 C:PF5283 4.9 78.0 1.0 CB C:PF5283 4.9 65.0 1.0 CZ3 B:TRP338 4.9 44.0 1.0 HG3 C:PRO281 4.9 0.7 1.0 HB2 B:LEU421 5.0 67.8 1.0 O B:HOH629 5.0 50.5 1.0

Fluorine binding site 4 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F283 b:56.5 occ:1.00 FE2 C:PF5283 0.0 56.5 1.0 CE2 C:PF5283 1.4 56.8 1.0 CZ C:PF5283 2.4 58.5 1.0 CD2 C:PF5283 2.4 57.1 1.0 FD2 C:PF5283 2.7 57.3 1.0 HG23 B:ILE401 2.7 68.9 1.0 FZ C:PF5283 2.7 58.8 1.0 HG21 B:ILE401 2.8 68.9 1.0 HD12 B:ILE401 3.0 77.2 1.0 HG B:CYS416 3.0 79.2 1.0 CG2 B:ILE401 3.2 57.4 1.0 CD2 B:TRP338 3.4 43.5 1.0 CE3 B:TRP338 3.5 43.9 1.0 CE1 C:PF5283 3.6 60.3 1.0 CG C:PF5283 3.7 59.9 1.0 CE2 B:TRP338 3.7 45.0 1.0 HG22 B:ILE401 3.8 68.9 1.0 HE3 B:TRP338 3.9 52.7 1.0 CZ3 B:TRP338 3.9 44.0 1.0 CD1 B:ILE401 3.9 64.4 1.0 HG13 B:ILE401 3.9 75.3 1.0 CG B:TRP338 3.9 43.2 1.0 CZ2 B:TRP338 4.0 46.9 1.0 CH2 B:TRP338 4.1 46.0 1.0 CD1 C:PF5283 4.1 60.0 1.0 HG2 C:PRO281 4.1 0.7 1.0 SG B:CYS416 4.2 66.0 1.0 NE1 B:TRP338 4.2 44.4 1.0 CG1 B:ILE401 4.2 62.8 1.0 HD11 B:ILE401 4.3 77.2 1.0 HB2 B:TRP338 4.3 49.9 1.0 CB B:ILE401 4.3 59.9 1.0 CD1 B:TRP338 4.3 44.1 1.0 HZ3 B:TRP338 4.4 52.9 1.0 HD13 B:ILE401 4.5 77.2 1.0 HZ2 B:TRP338 4.6 56.2 1.0 CB B:TRP338 4.6 41.6 1.0 HB3 B:TRP338 4.6 49.9 1.0 HH2 B:TRP338 4.7 55.2 1.0 HE2 B:TYR396 4.7 52.5 1.0 HE1 B:TRP338 4.7 53.3 1.0 FE1 C:PF5283 4.7 62.0 1.0 HG3 C:PRO281 4.8 0.7 1.0 CB C:PF5283 4.9 65.0 1.0 HB2 C:PF5283 4.9 78.0 1.0 CG C:PRO281 4.9 84.8 1.0 HB B:ILE401 4.9 71.9 1.0 HD1 B:TRP338 5.0 53.0 1.0 HD2 B:TYR396 5.0 54.5 1.0

Fluorine binding site 5 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F283 b:58.8 occ:1.00 FZ C:PF5283 0.0 58.8 1.0 CZ C:PF5283 1.4 58.5 1.0 CE2 C:PF5283 2.4 56.8 1.0 CE1 C:PF5283 2.4 60.3 1.0 HD22 B:LEU421 2.4 70.0 1.0 HG2 C:PRO281 2.7 0.7 1.0 FE2 C:PF5283 2.7 56.5 1.0 FE1 C:PF5283 2.7 62.0 1.0 CD2 B:LEU421 3.2 58.3 1.0 HG B:CYS416 3.3 79.2 1.0 HD21 B:LEU421 3.3 70.0 1.0 CH2 B:TRP338 3.4 46.0 1.0 HH2 B:TRP338 3.5 55.2 1.0 CZ3 B:TRP338 3.5 44.0 1.0 CG C:PRO281 3.5 84.8 1.0 HZ3 B:TRP338 3.6 52.9 1.0 HD23 B:LEU421 3.6 70.0 1.0 CD2 C:PF5283 3.6 57.1 1.0 CD1 C:PF5283 3.6 60.0 1.0 HG3 C:PRO281 3.7 0.7 1.0 HD2 C:PRO281 3.7 0.1 1.0 HD12 B:LEU418 4.0 75.2 1.0 CZ2 B:TRP338 4.0 46.9 1.0 CD C:PRO281 4.1 85.9 1.0 CE3 B:TRP338 4.1 43.9 1.0 CG C:PF5283 4.2 59.9 1.0 HD13 B:LEU421 4.2 66.3 1.0 SG B:CYS416 4.3 66.0 1.0 HZ2 B:TRP338 4.4 56.2 1.0 CG B:LEU421 4.4 56.0 1.0 HD11 B:LEU418 4.6 75.2 1.0 CE2 B:TRP338 4.6 45.0 1.0 HE3 B:TRP338 4.6 52.7 1.0 HD12 B:ILE401 4.6 77.2 1.0 O C:PRO281 4.6 91.4 1.0 HB2 B:LEU421 4.6 67.8 1.0 CD2 B:TRP338 4.6 43.5 1.0 CD1 B:LEU418 4.7 62.6 1.0 HB2 C:PRO281 4.7 0.1 1.0 CD1 B:LEU421 4.7 55.3 1.0 FD2 C:PF5283 4.7 57.3 1.0 FD1 C:PF5283 4.7 59.7 1.0 CB C:PRO281 4.7 88.4 1.0 HD11 B:LEU421 4.7 66.3 1.0 HD3 C:PRO281 4.8 0.1 1.0 HG23 B:ILE401 4.8 68.9 1.0 HB2 B:CYS416 4.9 84.5 1.0 HB3 B:LEU421 4.9 67.8 1.0 HD13 B:LEU418 4.9 75.2 1.0 HG21 B:THR330 4.9 64.9 1.0 CB B:LEU421 5.0 56.5 1.0

Fluorine binding site 6 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F286 b:45.0 occ:1.00 FD1 C:PF5286 0.0 45.0 1.0 CD1 C:PF5286 1.3 48.1 1.0 CE1 C:PF5286 2.3 49.5 1.0 CG C:PF5286 2.4 50.2 1.0 HB3 C:PF5286 2.5 58.0 1.0 FE1 C:PF5286 2.7 50.1 1.0 CB C:PF5286 2.8 48.4 1.0 HE21 B:GLN336 3.0 55.5 1.0 N C:PF5286 3.0 52.2 1.0 HG2 B:GLN336 3.2 50.5 1.0 NE2 B:GLN336 3.2 46.2 1.0 HB3 B:GLN336 3.4 47.7 1.0 O B:HOH639 3.4 34.2 1.0 HH B:TYR396 3.5 49.7 1.0 OH B:TYR396 3.5 41.4 1.0 CA C:PF5286 3.5 49.2 1.0 HE22 B:GLN336 3.6 55.5 1.0 O C:HOH315 3.6 46.4 1.0 CD2 C:PF5286 3.6 51.9 1.0 CZ C:PF5286 3.6 50.7 1.0 HA C:SEP285 3.6 79.9 1.0 CD B:GLN336 3.6 44.6 1.0 HB2 C:PF5286 3.7 58.0 1.0 CG B:GLN336 3.7 42.1 1.0 O C:ASP284 3.7 89.8 1.0 C C:SEP285 3.9 64.8 1.0 CB B:GLN336 4.0 39.7 1.0 CE2 C:PF5286 4.1 52.1 1.0 HA C:PF5286 4.2 59.0 1.0 CA C:SEP285 4.2 66.6 1.0 CZ B:TYR396 4.3 42.7 1.0 OE1 B:GLN336 4.4 45.9 1.0 HG3 B:GLN336 4.6 50.5 1.0 C C:PF5286 4.6 47.3 1.0 HB2 B:GLN336 4.6 47.7 1.0 HD1 B:TRP338 4.6 53.0 1.0 H B:LEU337 4.7 46.2 1.0 C C:ASP284 4.7 90.1 1.0 FZ C:PF5286 4.7 50.4 1.0 O C:PF5286 4.7 43.9 1.0 FD2 C:PF5286 4.7 51.0 1.0 HA B:GLN336 4.8 43.5 1.0 O C:SEP285 4.8 66.5 1.0 O C:PF5283 4.8 69.2 1.0 HE1 B:TYR396 4.9 51.3 1.0 HE2 B:TYR396 4.9 52.5 1.0 CE1 B:TYR396 4.9 42.8 1.0 CE2 B:TYR396 4.9 43.8 1.0 N C:SEP285 5.0 70.5 1.0

Fluorine binding site 7 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F286 b:51.0 occ:1.00 FD2 C:PF5286 0.0 51.0 1.0 CD2 C:PF5286 1.3 51.9 1.0 CE2 C:PF5286 2.3 52.1 1.0 CG C:PF5286 2.4 50.2 1.0 HB3 B:TYR395 2.5 62.1 1.0 HB2 C:PF5286 2.5 58.0 1.0 FE2 C:PF5286 2.7 53.7 1.0 CB C:PF5286 2.8 48.4 1.0 FE1 C:PF5288 2.9 54.7 1.0 HA C:PF5286 3.0 59.0 1.0 HB2 B:TYR395 3.3 62.1 1.0 CB B:TYR395 3.3 51.8 1.0 CA C:PF5286 3.5 49.2 1.0 CZ C:PF5286 3.6 50.7 1.0 CD1 C:PF5286 3.6 48.1 1.0 HB3 C:PF5286 3.7 58.0 1.0 C B:TYR395 4.0 51.1 1.0 CE1 C:PF5286 4.1 49.5 1.0 O B:TYR395 4.2 53.8 1.0 CE1 C:PF5288 4.2 56.4 1.0 CG B:TYR395 4.3 53.3 1.0 HA B:TYR396 4.3 62.9 1.0 CE1 B:TYR396 4.3 42.8 1.0 CD1 B:TYR396 4.3 44.4 1.0 CA B:TYR395 4.3 50.4 1.0 N B:TYR396 4.3 50.3 1.0 HE1 B:TYR396 4.3 51.3 1.0 HD1 B:TYR396 4.3 53.3 1.0 N C:PF5286 4.4 52.2 1.0 O C:SEP285 4.5 66.5 1.0 H B:TYR396 4.6 60.4 1.0 C C:PF5286 4.6 47.3 1.0 HD1 B:TYR395 4.7 67.7 1.0 FZ C:PF5286 4.7 50.4 1.0 FD1 C:PF5286 4.7 45.0 1.0 FZ C:PF5288 4.8 65.1 1.0 CZ B:TYR396 4.8 42.7 1.0 CG B:TYR396 4.8 46.0 1.0 C C:SEP285 4.8 64.8 1.0 HA B:TYR395 4.8 60.4 1.0 CA B:TYR396 4.8 52.4 1.0 CD1 B:TYR395 4.8 56.4 1.0 FD1 C:PF5288 4.9 49.3 1.0 FD2 C:PF5291 5.0 45.5 1.0 O B:GLY392 5.0 45.6 1.0

Fluorine binding site 8 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F286 b:50.1 occ:1.00 FE1 C:PF5286 0.0 50.1 1.0 CE1 C:PF5286 1.4 49.5 1.0 CZ C:PF5286 2.4 50.7 1.0 CD1 C:PF5286 2.4 48.1 1.0 HB2 C:PF5283 2.7 78.0 1.0 FD1 C:PF5286 2.7 45.0 1.0 FZ C:PF5286 2.7 50.4 1.0 HE22 B:GLN336 3.2 55.5 1.0 HH B:TYR396 3.2 49.7 1.0 FD2 C:PF5283 3.2 57.3 1.0 NE2 B:GLN336 3.3 46.2 1.0 HD1 B:TRP338 3.4 53.0 1.0 CD B:GLN336 3.4 44.6 1.0 OE1 B:GLN336 3.4 45.9 1.0 HE1 B:TRP338 3.4 53.3 1.0 HE2 B:TYR396 3.4 52.5 1.0 O C:ASP284 3.4 89.8 1.0 CB C:PF5283 3.6 65.0 1.0 O C:PF5283 3.6 69.2 1.0 CE2 C:PF5286 3.6 52.1 1.0 CG C:PF5286 3.7 50.2 1.0 OH B:TYR396 3.7 41.4 1.0 HE21 B:GLN336 3.7 55.5 1.0 HB3 B:GLN336 3.7 47.7 1.0 NE1 B:TRP338 3.8 44.4 1.0 CD1 B:TRP338 3.8 44.1 1.0 HA C:PF5283 3.8 85.9 1.0 CE2 B:TYR396 3.8 43.8 1.0 C C:PF5283 3.9 72.6 1.0 CA C:PF5283 4.0 71.6 1.0 CZ B:TYR396 4.0 42.7 1.0 CD2 C:PF5286 4.1 51.9 1.0 HB3 C:PF5283 4.1 78.0 1.0 CD2 C:PF5283 4.2 57.1 1.0 CG B:GLN336 4.3 42.1 1.0 CB B:GLN336 4.3 39.7 1.0 HG2 B:GLN336 4.3 50.5 1.0 CG C:PF5283 4.4 59.9 1.0 HB2 B:GLN336 4.4 47.7 1.0 C C:ASP284 4.5 90.1 1.0 N C:ASP284 4.6 92.6 1.0 FE2 C:PF5286 4.7 53.7 1.0 CD2 B:TYR396 4.8 45.5 1.0 HA C:SEP285 4.8 79.9 1.0 HB3 C:PF5286 4.9 58.0 1.0 CB C:PF5286 4.9 48.4 1.0 CG B:TRP338 5.0 43.2 1.0 CE2 B:TRP338 5.0 45.0 1.0

Fluorine binding site 9 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F286 b:53.7 occ:1.00 FE2 C:PF5286 0.0 53.7 1.0 CE2 C:PF5286 1.4 52.1 1.0 CZ C:PF5286 2.4 50.7 1.0 CD2 C:PF5286 2.4 51.9 1.0 HA B:TYR396 2.5 62.9 1.0 FD2 C:PF5286 2.7 51.0 1.0 FZ C:PF5286 2.7 50.4 1.0 HB2 B:LYS399 3.1 87.4 1.0 HG3 B:LYS399 3.3 90.2 1.0 O B:TYR395 3.4 53.8 1.0 CA B:TYR396 3.4 52.4 1.0 CE1 C:PF5286 3.6 49.5 1.0 CG C:PF5286 3.7 50.2 1.0 C B:TYR395 3.8 51.1 1.0 N B:TYR396 3.8 50.3 1.0 CG B:TYR396 3.8 46.0 1.0 CB B:LYS399 3.8 72.9 1.0 CD2 B:TYR396 3.9 45.5 1.0 CG B:LYS399 3.9 75.2 1.0 HB3 B:TYR395 4.0 62.1 1.0 HG2 B:LYS399 4.0 90.2 1.0 HD2 B:TYR396 4.1 54.5 1.0 CD1 C:PF5286 4.1 48.1 1.0 CD1 B:TYR396 4.1 44.4 1.0 CB B:TYR396 4.2 49.7 1.0 HB3 B:LYS399 4.2 87.4 1.0 CE2 B:TYR396 4.2 43.8 1.0 H B:LYS399 4.3 87.5 1.0 H B:TYR396 4.3 60.4 1.0 HG13 B:ILE401 4.4 75.3 1.0 C B:TYR396 4.4 52.9 1.0 HD1 B:TYR396 4.5 53.3 1.0 CE1 B:TYR396 4.5 42.8 1.0 CZ B:TYR396 4.6 42.7 1.0 O B:TYR396 4.6 52.4 1.0 HB3 B:TYR396 4.6 59.6 1.0 HE2 B:TYR396 4.7 52.5 1.0 HG12 B:ILE401 4.7 75.3 1.0 CB B:TYR395 4.7 51.8 1.0 FE1 C:PF5286 4.7 50.1 1.0 HB2 B:TYR395 4.8 62.1 1.0 CA B:TYR395 4.9 50.4 1.0 HB2 C:PF5286 4.9 58.0 1.0 CB C:PF5286 4.9 48.4 1.0 HB B:ILE401 4.9 71.9 1.0 O C:ASP284 4.9 89.8 1.0 HB2 B:TYR396 5.0 59.6 1.0 N B:LYS399 5.0 72.9 1.0 CG1 B:ILE401 5.0 62.8 1.0

Fluorine binding site 10 out of 20 in the ETS1 in Complex with Synthetic Srr Mimic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of ETS1 in Complex with Synthetic Srr Mimic within 5.0Å range: probe atom residue distance (Å) B Occ C:F286 b:50.4 occ:1.00 FZ C:PF5286 0.0 50.4 1.0 CZ C:PF5286 1.4 50.7 1.0 CE1 C:PF5286 2.4 49.5 1.0 CE2 C:PF5286 2.4 52.1 1.0 FE1 C:PF5286 2.7 50.1 1.0 FE2 C:PF5286 2.7 53.7 1.0 HG13 B:ILE401 3.0 75.3 1.0 FD2 C:PF5283 3.0 57.3 1.0 HE2 B:TYR396 3.2 52.5 1.0 CE2 B:TYR396 3.4 43.8 1.0 HD2 B:TYR396 3.5 54.5 1.0 CD2 B:TYR396 3.5 45.5 1.0 HA C:PF5283 3.6 85.9 1.0 CD2 C:PF5286 3.6 51.9 1.0 CD1 C:PF5286 3.6 48.1 1.0 CG1 B:ILE401 3.9 62.8 1.0 HB2 B:LYS399 4.0 87.4 1.0 HB2 C:PF5283 4.1 78.0 1.0 HG3 B:LYS399 4.1 90.2 1.0 O C:ASP284 4.1 89.8 1.0 HG12 B:ILE401 4.1 75.3 1.0 CG C:PF5286 4.2 50.2 1.0 CZ B:TYR396 4.2 42.7 1.0 HG21 B:ILE401 4.2 68.9 1.0 HA B:TYR396 4.2 62.9 1.0 CD2 C:PF5283 4.3 57.1 1.0 CA C:PF5283 4.3 71.6 1.0 HB3 B:LYS399 4.3 87.4 1.0 CG B:TYR396 4.4 46.0 1.0 HB B:ILE401 4.5 71.9 1.0 HH B:TYR396 4.5 49.7 1.0 C C:PF5283 4.5 72.6 1.0 CB C:PF5283 4.6 65.0 1.0 CB B:LYS399 4.6 72.9 1.0 HD1 B:TRP338 4.6 53.0 1.0 CB B:ILE401 4.7 59.9 1.0 HD11 B:ILE401 4.7 77.2 1.0 OH B:TYR396 4.7 41.4 1.0 FD2 C:PF5286 4.7 51.0 1.0 FD1 C:PF5286 4.7 45.0 1.0 H C:ASP284 4.7 0.1 1.0 N C:ASP284 4.8 92.6 1.0 CD1 B:ILE401 4.8 64.4 1.0 CG B:LYS399 4.8 75.2 1.0 CG2 B:ILE401 4.9 57.4 1.0 CG C:PF5283 4.9 59.9 1.0 HD12 B:ILE401 4.9 77.2 1.0 CE1 B:TYR396 4.9 42.8 1.0 CD1 B:TRP338 5.0 44.1 1.0

C.Perez-Borrajero, C.S.Lin, M.Okon, K.Scheu, B.J.Graves, M.E.P.Murphy, L.P.Mcintosh. The Biophysical Basis For Phosphorylation-Enhanced Dna-Binding Autoinhibition of the ETS1 Transcription Factor. J. Mol. Biol. V. 431 593 2019.
ISSN: ESSN 1089-8638
PubMed: 30597162
DOI: 10.1016/J.JMB.2018.12.011