Chlorine in PDB 5ign: Crystal Structure of Human BRD9 Bromodomain in Complex with LP99 Chemical Probe

The structure of Crystal Structure of Human BRD9 Bromodomain in Complex with LP99 Chemical Probe, PDB code: 5ign was solved by C.Tallant, P.G.K.Clark, L.C.C.Vieira, J.A.Newman, T.Krojer, G.Nunez-Alonso, S.Picaud, O.Fedorov, D.J.Dixon, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, P.E.Brennan, S.Knapp, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.93 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	28.527, 39.496, 212.439, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 24.3

The binding sites of Chlorine atom in the Crystal Structure of Human BRD9 Bromodomain in Complex with LP99 Chemical Probe (pdb code 5ign). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human BRD9 Bromodomain in Complex with LP99 Chemical Probe, PDB code: 5ign:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human BRD9 Bromodomain in Complex with LP99 Chemical Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human BRD9 Bromodomain in Complex with LP99 Chemical Probe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.9 occ:1.00 CL A:6B2201 0.0 18.9 1.0 CAX A:6B2201 1.7 13.2 1.0 CAY A:6B2201 2.7 13.5 1.0 CAW A:6B2201 2.7 12.6 1.0 O A:HOH389 3.4 27.6 1.0 O A:PRO48 3.4 13.1 1.0 CG2 A:THR50 3.6 15.7 1.0 OG1 A:THR50 3.8 15.8 1.0 O A:HOH326 3.8 20.0 1.0 N A:THR50 3.9 14.4 1.0 CAZ A:6B2201 4.0 12.5 1.0 CAV A:6B2201 4.0 12.6 1.0 CG2 A:ILE53 4.1 14.4 1.0 CB A:THR50 4.2 15.3 1.0 CAU A:6B2201 4.5 11.8 1.0 CA A:VAL49 4.5 13.7 1.0 C A:PRO48 4.5 12.7 1.0 CB A:ILE53 4.5 14.9 1.0 C A:VAL49 4.6 14.4 1.0 CA A:THR50 4.7 14.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human BRD9 Bromodomain in Complex with LP99 Chemical Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human BRD9 Bromodomain in Complex with LP99 Chemical Probe within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:12.6 occ:1.00 CL B:6B2201 0.0 12.6 1.0 CAX B:6B2201 1.7 9.6 1.0 CAY B:6B2201 2.7 9.1 1.0 CAW B:6B2201 2.7 9.6 1.0 OG1 B:THR50 3.3 9.9 1.0 CG2 B:ILE53 3.7 9.6 1.0 CG2 B:THR50 3.8 10.1 1.0 N B:THR50 3.9 9.5 1.0 O B:PRO48 3.9 9.2 1.0 CAZ B:6B2201 4.0 9.1 1.0 CB B:ILE53 4.0 10.0 1.0 CAV B:6B2201 4.0 9.4 1.0 CB B:THR50 4.1 10.1 1.0 O B:HOH328 4.3 12.5 1.0 CAU B:6B2201 4.5 8.8 1.0 CA B:THR50 4.6 9.8 1.0 C B:VAL49 4.7 9.4 1.0 CG1 B:ILE53 4.7 10.0 1.0 CA B:VAL49 4.8 8.9 1.0

C.Tallant, P.G.K.Clark, L.C.C.Vieira, T.Krojer, G.Nunez-Alonso, S.Picaud, O.Fedorov, D.J.Dixon, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, P.E.Brennan, S.Knapp. Crystal Structure of BRD9 Bromodomain in Complex with LP99 Chemical Probe To Be Published.