Structure of PDB 7vi0 Chain A Binding Site BS03

Receptor Information

>7vi0 Chain A (length=441) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YCCGRKLEFSPQTLCCYGKQLCTIPRDATYYSYQNRYHFCEKCFNEIQGE
SVSLGQTTINKEQFSKRKNDTLDPELFVECTECGRKMHQICVLHHEIIWP
AGFVCDGCLKKSARTRKENKFSAKRLPSTRLGTFLENRVNDFLRRQNHPE
SGEVTVRVVHASDKTVEVKPGMKARFVDSGEMAESFPYRTKALFAFEEID
GVDLCFFGMHVQEYGSDCPPPNQRRVYISYLDSVHFFRPKCLRTAVYHEI
LIGYLEYVKKLGYTTGHIWACPPSEGDDYIFHCHPPDQKIPKPKRLQEWF
KKMLDKAVSERIVHDYKDIFKQATEDRLTSAKELPYFEGDFWPNVLEESI
KESGGSGSQKLYATMEKHKEVFFVIRLIAGPAANSLPPIVDPDPLIPCDL
MDGRDAFLTLARDKHLEFSSLRRAQWSTMCMLVELHTQSQD

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

7vi0 Chain A Residue 1703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7vi0 Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	C1177 C1183 C1204
Binding residue (residue number reindexed from 1)	C16 C22 C43
Annotation score	1

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:7vi0, PDBe:7vi0, PDBj:7vi0
PDBsum	7vi0
PubMed	35413416
UniProt	Q09472\|EP300_HUMAN Histone acetyltransferase p300 (Gene Name=EP300)

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