Structure of PDB 2l85 Chain A Binding Site BS01

Receptor Information
>2l85 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 IDL85
InChIInChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)/b14-13+
InChIKeyCNYMBHPFLJWLJW-BUHFOSPRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1N=Nc2ccc(cc2)S(=O)(=O)O)O
OpenEye OEToolkits 1.7.0c1cc(ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O
ACDLabs 12.01O=S(=O)(O)c2ccc(/N=N/c1ccc(O)cc1)cc2
CACTVS 3.370Oc1ccc(cc1)N=Nc2ccc(cc2)[S](O)(=O)=O
FormulaC12 H10 N2 O4 S
Name4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
ChEMBL
DrugBank
ZINCZINC000004404103
PDB chain2l85 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

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PDB2l85 A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
ResolutionN/A
Binding residue
(original residue number in PDB)		L1109 L1120 I1122 Y1125 Y1167 N1168 R1173 V1174
Binding residue
(residue number reindexed from 1)		L33 L44 I46 Y49 Y91 N92 R97 V98
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2l85, PDBe:2l85, PDBj:2l85
PDBsum2l85
PubMed21513889
UniProtQ92793|CBP_HUMAN CREB-binding protein (Gene Name=CREBBP)

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