Structure of PDB 8w13 Chain A Binding Site BS01

Receptor Information
>8w13 Chain A (length=273) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRF
HLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKT
LYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQR
RGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRD
FRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEH
LKSAQYKKPPITVDSVCLKWAPP
Ligand information
Ligand IDA1AEW
InChIInChI=1S/C16H15BrN4O4S/c1-24-13-8-7-11(17)9-12(13)21-10-16(18-20-21)19-26(22,23)15-6-4-3-5-14(15)25-2/h3-10,19H,1-2H3
InChIKeyIRKPLEYYYNJDLW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccccc1S(=O)(=O)Nc2cn(nn2)c3cc(ccc3OC)Br
CACTVS 3.385COc1ccc(Br)cc1n2cc(N[S](=O)(=O)c3ccccc3OC)nn2
ACDLabs 12.01COc1ccccc1S(=O)(=O)Nc1cn(nn1)c1cc(Br)ccc1OC
FormulaC16 H15 Br N4 O4 S
NameN-[(1M)-1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl]-2-methoxybenzene-1-sulfonamide
ChEMBL
DrugBank
ZINC
PDB chain8w13 Chain A Residue 501 [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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PDB8w13 Identification of triazolyl KAT6 inhibitors via a templated fragment approach.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		I317 Q324 R325 G327 G329 R330 S354 L356 S360
Binding residue
(residue number reindexed from 1)		I142 Q149 R150 G152 G154 R155 S179 L181 S185
Annotation score1
External links
PDB RCSB:8w13, PDBe:8w13, PDBj:8w13
PDBsum8w13
PubMed39236793
UniProtQ9H7Z6|KAT8_HUMAN Histone acetyltransferase KAT8 (Gene Name=KAT8)

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