Structure of PDB 7za7 Chain AAA Binding Site BS02

Receptor Information
>7za7 Chain AAA (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 IDIIS
InChIInChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
InChIKeyRSMQQONIFJLFAK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc(cc1I)N
CACTVS 3.385Nc1cc(I)ccn1
FormulaC5 H5 I N2
Name4-iodanylpyridin-2-amine
ChEMBL
DrugBank
ZINCZINC000014982080
PDB chain7za7 Chain AAA Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7za7 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution1.06 Å
Binding residue
(original residue number in PDB)		W81 P82 Q85
Binding residue
(residue number reindexed from 1)		W42 P43 Q46
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7za7, PDBe:7za7, PDBj:7za7
PDBsum7za7
PubMed36367089
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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