Structure of PDB 7zaj Chain AAA Binding Site BS01

Receptor Information
>7zaj 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 IDHH8
InChIInChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H
InChIKeyQYXNSNJTMIEAPG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Brc1ccnc2ncccc12
OpenEye OEToolkits 2.0.6c1cc2c(ccnc2nc1)Br
FormulaC8 H5 Br N2
Name4-bromanyl-1,8-naphthyridine
ChEMBL
DrugBank
ZINCZINC000036533204
PDB chain7zaj Chain AAA Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7zaj Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution1.0 Å
Binding residue
(original residue number in PDB)		P82 V87 N140 I146
Binding residue
(residue number reindexed from 1)		P43 V48 N101 I107
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7zaj, PDBe:7zaj, PDBj:7zaj
PDBsum7zaj
PubMed36367089
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

[Back to BioLiP]