Structure of PDB 7ze6 Chain A Binding Site BS01

Receptor Information

>7ze6 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

InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)

JARRYVQFBQVOBE-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	Brc1ccc2c(c1)NC(=O)C2
OpenEye OEToolkits 1.7.6	c1cc2c(cc1Br)NC(=O)C2
CACTVS 3.370	Brc1ccc2CC(=O)Nc2c1

Formula

C8 H6 Br N O

Name

6-bromo-1,3-dihydro-2H-indol-2-one

ZINC000002577874

PDB chain

7ze6 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	7ze6 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution	1.04 Å
Binding residue (original residue number in PDB)	P82 N140
Binding residue (residue number reindexed from 1)	P43 N101
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7ze6, PDBe:7ze6, PDBj:7ze6
PDBsum	7ze6
PubMed	36367089
UniProt	O60885\|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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