Structure of PDB 6ba2 Chain A Binding Site BS02

Receptor Information
>6ba2 Chain A (length=264) 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
SIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKKKP
PITVDSVCLKWAPP
Ligand information
Ligand ID7KM
InChIInChI=1S/C20H17FN2O3S/c1-14-12-16(15-8-4-2-5-9-15)13-18(19(14)21)20(24)22-23-27(25,26)17-10-6-3-7-11-17/h2-13,23H,1H3,(H,22,24)
InChIKeyPHHZKBMVRPULAW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3
CACTVS 3.385Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ccccc3
ACDLabs 12.01c3c(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)cccc3
FormulaC20 H17 F N2 O3 S
Name4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
ChEMBLCHEMBL4455897
DrugBank
ZINC
PDB chain6ba2 Chain A Residue 809 [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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PDB6ba2 Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Resolution1.85004 Å
Binding residue
(original residue number in PDB)		L601 I647 I649 Q654 R655 G657 G659 R660 S684 L686 S690 S693
Binding residue
(residue number reindexed from 1)		L95 I141 I143 Q148 R149 G151 G153 R154 S178 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:6ba2, PDBe:6ba2, PDBj:6ba2
PDBsum6ba2
PubMed30069049
UniProtQ9H7Z6|KAT8_HUMAN Histone acetyltransferase KAT8 (Gene Name=KAT8)

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