Structure of PDB 7ss8 Chain A Binding Site BS01

Receptor Information
>7ss8 Chain A (length=484) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKSP
MDLSTIKRKLDTGQYQEPWQYVDDIWLMFNNAWLYNRKTSRVYKYCSKLS
EVFEQEIDPVMQSLGYCCGRKLEFSPNDTLDPELFVECTECGRKMHQICV
LHHEIIWPAGFVCDGCLKKSARTRKENKFSAKRLPSTRLGTFLENRVNDF
LRRQNHPESGEVTVRVVHASDKTVEVKPGMKARFVDSGEMAESFPYRTKA
LFAFEEIDGVDLCFFGMHVQEYGSDCPPPNQRRVYISYLDSVHFFRPKCL
RTAVYHEILIGYLEYVKKLGYTTGHIWACPPSEGDDYIFHCHPPDQKIPK
PKRLQEWFKKMLDKAVSERIVHDYKDIFKQATEDRSAKELPYFEGDFWPN
VLEESILYATMEKHKEVFFVIRLIAGPAANSLPPIVDPDPLIPCDLMDGR
DAFLTLARDKHLEFSSLRRAQWSTMCMLVELHTQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7ss8 Chain A Residue 1701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ss8 Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		C1163 C1164 H1255 C1258
Binding residue
(residue number reindexed from 1)		C117 C118 H146 C149
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:7ss8, PDBe:7ss8, PDBj:7ss8
PDBsum7ss8
PubMed36302181
UniProtQ09472|EP300_HUMAN Histone acetyltransferase p300 (Gene Name=EP300)

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