Structure of PDB 4nyv Chain B Binding Site BS01

Receptor Information
>4nyv Chain B (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKN
PMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKL
AEVFEQEIDPVMQSL
Ligand information
Ligand ID15E
InChIInChI=1S/C9H9BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13)
InChIKeyFZPAKYJRNKYQBY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN1Cc2cc(ccc2NC1=O)Br
ACDLabs 12.01Brc1ccc2NC(=O)N(Cc2c1)C
CACTVS 3.370CN1Cc2cc(Br)ccc2NC1=O
FormulaC9 H9 Br N2 O
Name6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one
ChEMBLCHEMBL2179381
DrugBank
ZINCZINC000004141959
PDB chain4nyv Chain B Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nyv Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
Resolution1.83 Å
Binding residue
(original residue number in PDB)		P1110 L1120 N1168
Binding residue
(residue number reindexed from 1)		P29 L39 N87
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.-
2.3.1.48: histone acetyltransferase.
Gene Ontology
Molecular Function
GO:0004402 histone acetyltransferase activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:4nyv, PDBe:4nyv, PDBj:4nyv
PDBsum4nyv
PubMed
UniProtQ92793|CBP_HUMAN CREB-binding protein (Gene Name=CREBBP)

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