Zinc 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
Chlorine	(Cl)	3 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564, PDB code: 5mq1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the BRD7 Bromodomain in Complex with Bi-9564


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn701 b:5.5 occ:0.50 OD2 A:ASP198 1.9 6.7 1.0 OE1 A:GLU194 1.9 5.5 1.0 CG A:ASP198 2.7 6.1 1.0 OD1 A:ASP198 2.8 6.7 1.0 CD A:GLU194 3.0 7.0 1.0 CG A:GLU194 3.3 6.7 1.0 NZ A:LYS197 3.7 7.8 1.0 CB A:ASP198 4.1 6.0 1.0 OE2 A:GLU194 4.1 8.1 1.0 O A:HOH887 4.1 9.1 1.0 O A:GLU194 4.4 6.2 1.0 CE A:LYS197 4.4 6.9 1.0 CB A:GLU194 4.8 6.7 1.0 O A:HOH944 4.8 15.2 1.0 O A:HOH954 4.9 22.7 1.0 C A:GLU194 5.0 6.9 1.0

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn702 b:10.2 occ:1.00 NE2 A:HIS226 2.1 9.5 1.0 CL A:CL703 2.2 21.3 1.0 CL A:CL704 2.2 24.5 1.0 CE1 A:HIS226 3.0 11.9 1.0 CD2 A:HIS226 3.1 9.6 1.0 ND1 A:HIS226 4.2 11.9 1.0 C1 A:EDO711 4.2 30.5 1.0 CG A:HIS226 4.2 9.0 1.0 CE A:LYS222 4.4 8.3 0.2 CG A:LYS222 4.4 12.3 0.8 C2 A:EDO711 4.7 29.5 1.0 CD A:LYS222 4.9 15.1 0.8

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.