Structure of PDB 8je0 Chain D Binding Site BS01

Receptor Information
>8je0 Chain D (length=378) Species: 2686364 (Klebsiella sp. PCX) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDIVIKNGQIADIENRTYINADIGIKGNRIVDISHHAETVIDASGCIILP
GLIDFHGHVFHGGTAISVNPDIVCLPNGVTSMVDAGSSGWVNYSLFRNSV
IHPAMVKIKSYLNVVNVGLSTLGGGPTGYLENTNPANYNEEKIAQTLNDN
RDNILGLKLRYSQDIARYASDPLLATVALVRKLETSICVHVTDSLLCADE
LIRYFEEGDIYAHCFHGTGHSILNEQGQVYAAIKEAQSRGVIFDCSNGVA
HFDFKVAQSAMEQGFYPDIISTDLTLRNSLRTDKVYSLLHVMSKYLNMGM
PFFDVIRAVTATPARLMKMQGQIGTLAANAIADISIVKLRKDKITFEDTR
GKTLEGDCYLDNCATICNGQIVYRRLRF
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 chain8je0 Chain D Residue 401 [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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PDB8je0 A novel amidohydrolase catalyze the degradation of PAM by Klebsiella sp. PCX
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H62 H64 H199 D282
Binding residue
(residue number reindexed from 1)		H56 H58 H190 D273
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
GO:0019213 deacetylase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8je0, PDBe:8je0, PDBj:8je0
PDBsum8je0
PubMed
UniProtA0A9E8ZAQ2

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