Atomistry » Bromine » PDB 4x6i-4z8b » 4xy8
Atomistry »
  Bromine »
    PDB 4x6i-4z8b »
      4xy8 »

Bromine in PDB 4xy8: Crystal Structure of the Bromodomain of BRD9 in Complex with A 2- Amine-9H-Purine Ligand

Protein crystallography data

The structure of Crystal Structure of the Bromodomain of BRD9 in Complex with A 2- Amine-9H-Purine Ligand, PDB code: 4xy8 was solved by S.Picaud, F.Von Delft, A.M.Edwards, C.H.Arrowsmith, C.Bountra, P.Filippakopoulos, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.54 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 80.716, 43.604, 40.880, 90.00, 104.34, 90.00
R / Rfree (%) 14.8 / 18.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Bromodomain of BRD9 in Complex with A 2- Amine-9H-Purine Ligand (pdb code 4xy8). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of the Bromodomain of BRD9 in Complex with A 2- Amine-9H-Purine Ligand, PDB code: 4xy8:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 4xy8

Go back to Bromine Binding Sites List in 4xy8
Bromine binding site 1 out of 2 in the Crystal Structure of the Bromodomain of BRD9 in Complex with A 2- Amine-9H-Purine Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Bromodomain of BRD9 in Complex with A 2- Amine-9H-Purine Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:15.6
occ:1.00
BR A:43U201 0.0 15.6 1.0
C4 A:43U201 1.9 8.5 1.0
C3 A:43U201 2.8 6.9 1.0
C5 A:43U201 2.8 9.5 1.0
OH A:TYR106 3.8 12.6 1.0
CE1 A:PHE44 3.9 10.4 1.0
C2 A:43U201 4.1 8.8 1.0
C6 A:43U201 4.1 5.5 1.0
CD1 A:PHE44 4.5 7.7 1.0
O A:HOH345 4.5 16.6 1.0
C1 A:43U201 4.6 4.7 1.0
CG2 A:ILE53 4.7 12.6 1.0
CZ A:TYR106 4.8 11.0 1.0
O A:HOH331 4.8 14.0 1.0
CE1 A:TYR106 4.9 8.3 1.0
CZ A:PHE44 5.0 15.0 1.0

Bromine binding site 2 out of 2 in 4xy8

Go back to Bromine Binding Sites List in 4xy8
Bromine binding site 2 out of 2 in the Crystal Structure of the Bromodomain of BRD9 in Complex with A 2- Amine-9H-Purine Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Bromodomain of BRD9 in Complex with A 2- Amine-9H-Purine Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:13.5
occ:1.00
N A:VAL105 3.4 8.4 1.0
CB A:THR104 3.8 7.0 1.0
CA A:THR104 3.9 7.4 1.0
CE2 A:TYR106 3.9 10.7 1.0
CG2 A:VAL105 3.9 12.0 1.0
CB A:VAL105 4.1 11.2 1.0
CG2 A:THR104 4.2 8.1 1.0
C A:THR104 4.2 7.4 1.0
CA A:VAL105 4.4 8.5 1.0
CD2 A:TYR106 4.4 9.3 1.0
CZ A:TYR106 4.7 11.0 1.0
O A:HOH348 4.8 30.3 1.0

Reference:

S.Picaud, M.Strocchia, S.Terracciano, G.Lauro, J.Mendez, D.L.Daniels, R.Riccio, G.Bifulco, I.Bruno, P.Filippakopoulos. The 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain. J.Med.Chem. 2015.
ISSN: ISSN 0022-2623
PubMed: 25703523
DOI: 10.1021/JM501893K
Page generated: Mon Jul 7 07:49:20 2025

Last articles

Br in 7O5R
Br in 7O5I
Br in 7O45
Br in 7NSV
Br in 7O1H
Br in 7NDP
Br in 7NOS
Br in 7NQO
Br in 7NQP
Br in 7NFP
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy