Structure of PDB 5hi0 Chain A Binding Site BS01

Receptor Information
>5hi0 Chain A (length=376) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIPQPIRGDKGATVKIPRNIERDRQNPDMLVPPETDHGTVSNMKFSFSDT
HNRLEKGGYAREVTVRELPISENLASVNMRLKPGAIRELHWHKEAEWAYM
IYGSARVTIVDEKGRSFIDDVGEGDLWYFPSGLPHSIQALEEGAEFLLVF
DDGSFSNSTFQLTDWLAHTPKEVIAANFGVTKEEISNLPGKEKYIFENQL
PGSLKDDIVEGPNGEVPYPFTYRLLEQEPIESEGGKVYIADSTNFKVSKT
IASALVTVEPGAMRELHWHPNTHEWQYYISGKARMTVFASDGHARTFNYQ
AGDVGYVPFAMGHYVENIGDEPLVFLEIFKDDHYADVSLNQWLAMLPETF
VQAHLDLGKDFTDVLSKEKHPVVKKK
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain5hi0 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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PDB5hi0 Substrate Binding Mode and Molecular Basis of a Specificity Switch in Oxalate Decarboxylase.
Resolution2.602 Å
Binding residue
(original residue number in PDB)		H95 H97 E101 H140
Binding residue
(residue number reindexed from 1)		H90 H92 E96 H135
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R92 H95 H97 E101 H140
Catalytic site (residue number reindexed from 1) R87 H90 H92 E96 H135
Enzyme Commision number 4.1.1.2: oxalate decarboxylase.
Gene Ontology
Molecular Function
GO:0016831 carboxy-lyase activity
GO:0046564 oxalate decarboxylase activity
GO:0046872 metal ion binding
Biological Process
GO:0033609 oxalate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5hi0, PDBe:5hi0, PDBj:5hi0
PDBsum5hi0
PubMed27014926
UniProtO34714|OXDC_BACSU Oxalate decarboxylase OxdC (Gene Name=oxdC)

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