Structure of PDB 6pdc Chain A Binding Site BS02

Receptor Information
>6pdc Chain A (length=268) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFH
LGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTL
YFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRR
GYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDL
SIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQ
YKKPPITVDSVCLKWAPP
Ligand information
Ligand IDO9P
InChIInChI=1S/C17H17FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h3-8,10-11,20H,1,9H2,2H3,(H,19,21)
InChIKeyFEYQZXJYMGGAIM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C
CACTVS 3.385Cc1cc(OCC=C)cc(c1F)C(=O)NN[S](=O)(=O)c2ccccc2
ACDLabs 12.01[C@H](=C)COc2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F
FormulaC17 H17 F N2 O4 S
Name2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
ChEMBLCHEMBL4464572
DrugBank
ZINC
PDB chain6pdc Chain A Residue 806 [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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PDB6pdc Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		I647 I649 Q654 R655 G657 G659 R660 L686 S690 S693
Binding residue
(residue number reindexed from 1)		I141 I143 Q148 R149 G151 G153 R154 L180 S184 S187
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:6pdc, PDBe:6pdc, PDBj:6pdc
PDBsum6pdc
PubMed32118427
UniProtQ9H7Z6|KAT8_HUMAN Histone acetyltransferase KAT8 (Gene Name=KAT8)

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