Structure of PDB 6pgu Chain A Binding Site BS02

Receptor Information
>6pgu Chain A (length=313) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKFSAKRLPSTRLGTFLENRVNDFLRRQNHPESGEVTVRVVHASDKTVEV
KPGMKARFVDSGEMAESFPYRTKALFAFEEIDGVDLCFFGMHVQEYGSDC
PPPNQRRVYISYLDSVHFFRPKCLRTAVYHEILIGYLEYVKKLGYTTGHI
WACPPSEGDDYIFHCHPPDQKIPKPKRLQEWFKKMLDKAVSERIVHDYKD
IFKQATEDRLTSAKELPYFEGDFWPNVLEESIQKLYATMEKHKEVFFVIR
LIAGPAANSLPPIVDPDPLIPCDLMDGRDAFLTLARDKHLEFSSLRRAQW
STMCMLVELHTQS
Ligand information
Ligand IDOK7
InChIInChI=1S/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8)
InChIKeyFSATURPVOMZWBY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CC(=O)Nc1sccc1
OpenEye OEToolkits 2.0.7CC(=O)Nc1cccs1
FormulaC6 H7 N O S
NameN-(thiophen-2-yl)acetamide
ChEMBL
DrugBank
ZINCZINC000000281105
PDB chain6pgu Chain A Residue 1702 [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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PDB6pgu Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		Y1394 H1434 I1435 I1486 P1502 D1507 F1595 F1596
Binding residue
(residue number reindexed from 1)		Y109 H149 I150 I201 P217 D222 F246 F247
Annotation score1
Binding affinityMOAD: ic50=20uM
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:6pgu, PDBe:6pgu, PDBj:6pgu
PDBsum6pgu
PubMed31649965
UniProtQ09472|EP300_HUMAN Histone acetyltransferase p300 (Gene Name=EP300)

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