Structure of PDB 8h3y Chain A Binding Site BS01

Receptor Information
>8h3y Chain A (length=348) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTASIDLQSVSYTDLATQLNDVSDFGKMIILKDNGFNRQVHVSMDKRTKI
QLDNENVRLFNGRDKDSTSFILGDEFAVLRFYRNGESISYIAYKEAQMMN
EIAEFYAAPFKKTRAINEKEAFECIYDSAGKDIVSVKINIDKAKKILNLP
ECDYINDYIKTPAVPSEPKTVYVICLRENGSTIYPNEVSAQMQDAANSVY
AVHGLKRYVNFHFVLYTTEYSCPSGDAKEGLEGFTASLKSNPKAEGYDDQ
IYFLIRWGTWDNKILGMSWFNSYNVNTASDFEASGMSTTQLMYPGVMAHE
LGHILGAEHTDNSKDLMYATFTGYLSHLSEKNMDIIAKNLGWEAADGD
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8h3y Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8h3y Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D194 H348 H352 H358
Binding residue
(residue number reindexed from 1)		D157 H299 H303 H309
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.74: fragilysin.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8h3y, PDBe:8h3y, PDBj:8h3y
PDBsum8h3y
PubMed36845160
UniProtP54355|ENTM_BACFG Fragilysin (Gene Name=btfP)

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