Structure of PDB 2d82 Chain A Binding Site BS01

Receptor Information
>2d82 Chain A (length=121) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYF
DIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYK
FCSKLAEVFEQEIDPVMQSLG
Ligand information
Ligand IDTTR
InChIInChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3
InChIKeyMIGJEXKBUJPKJF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)n1c2ccccc2c3CCCC(=O)c13
ACDLabs 10.04O=C3c2c(c1c(cccc1)n2C(=O)C)CCC3
OpenEye OEToolkits 1.5.0CC(=O)n1c2ccccc2c3c1C(=O)CCC3
FormulaC14 H13 N O2
Name9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE
ChEMBLCHEMBL1236441
DrugBankDB08655
ZINCZINC000000393073
PDB chain2d82 Chain A Residue 201 [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]
PDB2d82 Target structure-based discovery of small molecules that block human p53 and CREB binding protein association
ResolutionN/A
Binding residue
(original residue number in PDB)		V1115 L1120 Y1125
Binding residue
(residue number reindexed from 1)		V39 L44 Y49
Annotation score1
Binding affinityBindingDB: Kd=19600nM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2d82, PDBe:2d82, PDBj:2d82
PDBsum2d82
PubMed16426974
UniProtQ92793|CBP_HUMAN CREB-binding protein (Gene Name=CREBBP)

[Back to BioLiP]