Structure of PDB 3s0m Chain A Binding Site BS02

Receptor Information

>3s0m Chain A (length=377) Species: 1423 (Bacillus subtilis)

DIPQPIRGDKGATVKIPRNIERDRQNPDMLVPPETDHGTVSNMKFSFSDT
HNRLEKGGYAREVTVRELPISENLASVNMRLKPGAIRELHWHKEAEWAYM
IYGSARVTIVDEKGRSFIDDVGEGDLWYFPSGLPHSIQALEEGAEFLLVF
DDGSFSENSVFQLTDWLAHTPKEVIAANFGVTKEEISNLPGKEKYIFENQ
LPGSLKDDIVEGPNGEVPYPFTYRLLEQEPIESEGGKVYIADSTNFKVSK
TIASALVTVEPGAMRELHWHPNTHEWQYYISGKARMTVFASDGHARTFNY
QAGDVGYVPFAMGHYVENIGDEPLVFLEIFKDDHYADVSLNQWLAMLPET
FVQAHLDLGKDFTDVLSKEKHPVVKKK

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 3s0m Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3s0m A structural element that facilitates proton-coupled electron transfer in oxalate decarboxylase.
• Resolution: 2.31 Å
• Binding residue (original residue number in PDB): H273 H275 E280 H319
• Binding residue (residue number reindexed from 1): H268 H270 E275 H314
• Annotation score: 1

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

External links

• PDB: RCSB:3s0m, PDBe:3s0m, PDBj:3s0m
• PDBsum: 3s0m
• PubMed: 22404040
• UniProt: O34714|OXDC_BACSU Oxalate decarboxylase OxdC (Gene Name=oxdC)