Structure of PDB 4z02 Chain A Binding Site BS01

Receptor Information
>4z02 Chain A (length=119) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLKVVWAKCSGYPSYPALIIDPKMPRVPGHHNGVTIPAPPLDVLKIGEHM
QTKSDEKLFLVLFFDNKRSWQWLPKSKMVPLGIDETIDKLKMMEGRNSSI
RKAVRIAFDRAMNHLSRVH
Ligand information
Ligand ID4K8
InChIInChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)
InChIKeyKVMMIDQDXZOPAB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2cnc(cc2c1)C(=O)O
ACDLabs 12.01c2c1c(cc(C(O)=O)nc1)ccc2
CACTVS 3.385OC(=O)c1cc2ccccc2cn1
FormulaC10 H7 N O2
Nameisoquinoline-3-carboxylic acid
ChEMBLCHEMBL1728638
DrugBank
ZINCZINC000000158608
PDB chain4z02 Chain A Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4z02 Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid
Resolution1.87 Å
Binding residue
(original residue number in PDB)		Y943 F991 S997 Q999
Binding residue
(residue number reindexed from 1)		Y15 F63 S69 Q71
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4z02, PDBe:4z02, PDBj:4z02
PDBsum4z02
PubMed
UniProtO95696|BRD1_HUMAN Bromodomain-containing protein 1 (Gene Name=BRD1)

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