Structure of PDB 6oiq Chain A Binding Site BS02

Receptor Information
>6oiq Chain A (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFH
LGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTL
YFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRR
GYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSWVLLENLRDF
RGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHL
KSAQYKKPPITVDSVCLKWAPP
Ligand information
Ligand IDMLV
InChIInChI=1S/C19H15FN2O3S/c20-18-16(14-8-3-1-4-9-14)12-7-13-17(18)19(23)21-22-26(24,25)15-10-5-2-6-11-15/h1-13,22H,(H,21,23)
InChIKeyDUTMMJVUYVOSEW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3
ACDLabs 12.01C(c1cccc(c1F)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O
CACTVS 3.385Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3
FormulaC19 H15 F N2 O3 S
Name2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
ChEMBLCHEMBL4474291
DrugBank
ZINC
PDB chain6oiq Chain A Residue 802 [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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PDB6oiq Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		L601 I649 Q654 R655 G657 G659 R660 S684 L686 S690 S693
Binding residue
(residue number reindexed from 1)		L95 I143 Q148 R149 G151 G153 R154 S178 L180 S184 S187
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.57,IC50=0.27uM
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:6oiq, PDBe:6oiq, PDBj:6oiq
PDBsum6oiq
PubMed31256587
UniProtQ9H7Z6|KAT8_HUMAN Histone acetyltransferase KAT8 (Gene Name=KAT8)

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