Structure of PDB 8ihr Chain B Binding Site BS01

Receptor Information
>8ihr Chain B (length=399) Species: 128780 (Stenotrophomonas acidaminiphila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVAVQCGRLFDARSGQLKGPHTLLVADGRIRQVLPGARVVDLGDKVCLPG
WTDLHVHLGSQSSPQSYSEDFRLDPVDHAFRAVGYAEKTLMAGFTSVRDL
GGEVSPHLRDAINQGLVRGPRIFAAGKSIATTGGHADPTNGWNERLAHLV
GAPGPAEGVVNSVDEARQAVRQRYKEGSDLIKITATGGVLSYARSGDAPQ
FTVDEIKAVVDTARDYGFRVAAHAHGTEGMKRAVQAGVTSIEHGTYMDDE
VMRLMKQHGTWYVPTFYAGRFVTEKAAIDGYFPEVVRPKAARIGALISQT
AAKAYRNGVRIAFGTDQGVGPHGDNAREFVYMVEAGIPAAYALQAATVHA
AQVLGVDDQGVLEPGKRADVIALAGNPLEDINAVLDVRFVMKDGVIYKQ
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 chain8ihr Chain B 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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PDB8ihr Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H83 H85 K210 D344
Binding residue
(residue number reindexed from 1)		H55 H57 K182 D316
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds

View graph for
Molecular Function
External links
PDB RCSB:8ihr, PDBe:8ihr, PDBj:8ihr
PDBsum8ihr
PubMed37331057
UniProtA0A0S1B1B6

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