Chlorine in PDB 5mq1: Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564

The structure of Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564, PDB code: 5mq1 was solved by L.Diaz-Saez, L.J.Martin, I.Panagakou, S.Picaud, T.Krojer, F.Von Delft, S.Knapp, C.H.Arrowsmith, A.M.Edwards, C.Bountra, K.Huber, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.42 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	66.870, 125.255, 37.353, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 19

The structure of Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564 (pdb code 5mq1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564, PDB code: 5mq1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564


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 the BRD7 Bromodomain in Complex with Bi-9564 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:21.3 occ:1.00 ZN A:ZN702 2.2 10.2 1.0 NE2 A:HIS226 3.5 9.5 1.0 CL A:CL704 3.7 24.5 1.0 CD2 A:HIS226 3.8 9.6 1.0 CG A:LYS222 3.9 12.3 0.8 CE A:MET208 3.9 8.9 0.6 CE A:LYS222 3.9 8.3 0.2 CD2 A:LEU225 4.0 11.3 1.0 CG A:LYS222 4.1 8.0 0.2 CE A:MET208 4.1 5.3 0.4 SD A:MET208 4.5 10.7 0.6 CE A:LYS222 4.5 17.5 0.8 CB A:LYS222 4.5 10.5 0.8 SD A:MET208 4.6 5.4 0.4 CA A:LYS222 4.6 8.3 0.8 CB A:LYS222 4.6 7.9 0.2 CA A:LYS222 4.6 7.6 0.2 CD A:LYS222 4.6 8.1 0.2 CD A:LYS222 4.7 15.1 0.8 C1 A:EDO711 4.7 30.5 1.0 CE1 A:HIS226 4.8 11.9 1.0 NZ A:LYS222 4.8 8.2 0.2 CG A:LEU225 4.9 8.8 1.0 O A:LYS222 4.9 8.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564


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 the BRD7 Bromodomain in Complex with Bi-9564 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:24.5 occ:1.00 ZN A:ZN702 2.2 10.2 1.0 NE2 A:HIS226 3.3 9.5 1.0 CE A:LYS222 3.5 8.3 0.2 CL A:CL703 3.7 21.3 1.0 CD A:LYS222 3.9 15.1 0.8 CE1 A:HIS226 4.0 11.9 1.0 CE A:LYS222 4.0 17.5 0.8 NZ A:LYS222 4.0 8.2 0.2 O A:HOH876 4.0 34.4 1.0 CG A:LYS222 4.1 12.3 0.8 CD2 A:HIS226 4.3 9.6 1.0 NZ A:LYS222 4.5 18.1 0.8 CD A:LYS222 4.9 8.1 0.2

Chlorine binding site 3 out of 3 in the Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:34.6 occ:1.00 O A:HOH883 3.2 13.4 1.0 C14 A:5U6700 3.9 9.6 1.0 C13 A:5U6700 3.9 8.5 1.0 O A:HOH1008 4.0 32.9 1.0 CD2 A:PHE158 4.1 11.4 1.0 CB A:PHE158 4.2 9.4 1.0 C21 A:5U6700 4.4 9.0 1.0 C26 A:5U6700 4.4 9.6 1.0 C24 A:5U6700 4.4 10.6 1.0 O A:HOH998 4.5 39.0 1.0 N15 A:5U6700 4.6 10.8 1.0 CG A:PHE158 4.6 10.2 1.0 C16 A:5U6700 4.8 12.1 1.0

L.Diaz-Saez, L.J.Martin, I.Panagakou, S.Picaud, T.Krojer, F.Von Delft, S.Knapp, C.H.Arrowsmith, A.M.Edwards, C.Bountra, K.Huber, Structural Genomics Consortium (Sgc). Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564 To Be Published.