Structure of PDB 7zaq Chain A Binding Site BS01

Receptor Information
>7zaq Chain A (length=129) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDA
VKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIY
NKPGDDIVLMAEALEKLFLQKINELPTEE
Ligand information
Ligand ID3Z7
InChIInChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKeyWHSIIJQOEGXWSN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2COc1cc(ccc1O)Br
CACTVS 3.385COc1cc(Br)ccc1O
ACDLabs 12.01Brc1cc(OC)c(O)cc1
FormulaC7 H7 Br O2
Name4-bromo-2-methoxyphenol
ChEMBLCHEMBL3416131
DrugBank
ZINCZINC000000158195
PDB chain7zaq Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zaq Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution1.11 Å
Binding residue
(original residue number in PDB)		Y97 C136 N140 I146
Binding residue
(residue number reindexed from 1)		Y58 C97 N101 I107
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7zaq, PDBe:7zaq, PDBj:7zaq
PDBsum7zaq
PubMed36367089
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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