Structure of PDB 4met Chain D Binding Site BS01

Receptor Information
>4met Chain D (length=377) 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
IYGSARVTIVDEKGRSFIDDVGEGDLFYFPSGLPHSIQALEEGAEFLLVF
DDGSFSENSTFQLTDWLAHTPKEVIAANFGVTKEEISNLPGKEKYIFENQ
LPGSLKDDIVEGPNGEVPYPFTYRLLEQEPIESEGGKVYIADSTNFKVSK
TIASALVTVEPGAMRELHWHPNTHEWQYYISGKARMTVFASDGHARTFNY
QAGDVGYVPFAMGHYVENIGDEPLVFLEIFKDDHYADVSLNQWLAMLPET
FVQAHLDLGKDFTDVLSKEKHPVVKKK
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 chain4met Chain D Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4met Assigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations.
Resolution2.095 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 E162
Catalytic site (residue number reindexed from 1) R87 H90 H92 E96 H135 E157
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:4met, PDBe:4met, PDBj:4met
PDBsum4met
PubMed24444454
UniProtO34714|OXDC_BACSU Oxalate decarboxylase OxdC (Gene Name=oxdC)

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