Structure of PDB 7oy0 Chain A Binding Site BS02

Receptor Information
>7oy0 Chain A (length=462) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGPRVVVIGAGLAGLAAAKALLEQGFTDVTVLEASSHIGGRVQSVKLGHA
TFELGATWIHGSHGNPIYHLAEANGLLENGVACYLTNHGRRIPKDVVEEF
SDLYNEVYNLTQEFFVNAESQNSVGVFTREEVRNRIRNDPDDPEATKRLK
LAMIQQYLKVESCESSSHSMDEVSLSAFGEWTEIPGAHHIIPSGFMRVVE
LLAEGIPAHVIQLGKPVRCIHWDQASGSVVVECEDCELIPADHVIVTVSL
GVLKRQYTSFFRPGLPTEKVAAIHRLGIGTTDKIFLEFEEPFWGPECNSL
QFVWEDEAESHTLTYPPELWYRKICGFDVLYPPERYGHVLSGWICGEEAL
VMETLSDEAVAEICTEMLRQFTGNPNIPKPRRILRSAWGSNPYFRGSYSY
TQVGSSGADVEKLAKPLPGLQVLFSGEATHRKYYSTTHGALLSGQREAAR
LIEMYRDLFQQS
Ligand information
Ligand ID3EI
InChIInChI=1S/C16H12N4OS/c21-12-6-4-11(5-7-12)18-16-19-13(10-22-16)14-9-17-15-3-1-2-8-20(14)15/h1-10,21H,(H,18,19)
InChIKeyNAJHZKDVMWYLOU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccn2c(c1)ncc2c3csc(n3)Nc4ccc(cc4)O
CACTVS 3.385Oc1ccc(Nc2scc(n2)c3cnc4ccccn34)cc1
FormulaC16 H12 N4 O S
Name4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol
ChEMBL
DrugBank
ZINC
PDB chain7oy0 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7oy0 Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor.
Resolution2.09 Å
Binding residue
(original residue number in PDB)
Y181 E185 M194 V197 W205 E207
Binding residue
(residue number reindexed from 1)
Y157 E161 M170 V173 W181 E183
Annotation score1
Enzymatic activity
Enzyme Commision number 1.5.3.16: spermine oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:7oy0, PDBe:7oy0, PDBj:7oy0
PDBsum7oy0
PubMed35931745
UniProtQ9NWM0|SMOX_HUMAN Spermine oxidase (Gene Name=SMOX)

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