Structure of PDB 4keq Chain A Binding Site BS01

Receptor Information
>4keq Chain A (length=270) Species: 266835 (Mesorhizobium japonicum MAFF 303099) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTKVYLLDGGSLVLDGYHVFWNRGPGGEVRFPVYSILIEHAEGRFLIDTG
YDYDHVMKVLPFEKPIQEKHQTIPGALGLLGLEPRDIDVVVNSHFHFDHC
GGNKYFPHAKKICHRSEVPQACNPQPFEHLGYSDLSFSAEAAEARGATAQ
LLEGTTRANSTFEGIDGDVDLARGVKLISTPGHSIGHYSLLVEFPRRKPI
LFTIDAAYTQKSLETLCQAAFHIDPVAGVNSMRKVKKLAEDHGAELMYSH
DMDNFKTYRTGTQFYGHHHH
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 chain4keq Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4keq Structure of 4-pyridoxolactonase from Mesorhizobium loti.
Resolution2.279 Å
Binding residue
(original residue number in PDB)		D100 H101 D207 H252
Binding residue
(residue number reindexed from 1)		D98 H99 D205 H250
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.27: 4-pyridoxolactonase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047585 4-pyridoxolactonase activity
Biological Process
GO:0042820 vitamin B6 catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4keq, PDBe:4keq, PDBj:4keq
PDBsum4keq
PubMed24699732
UniProtQ988B9|PDLA_RHILO 4-pyridoxolactonase (Gene Name=mlr6805)

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