Structure of PDB 6ufi Chain A Binding Site BS01

Receptor Information

>6ufi Chain A (length=377) Species: 1423 (Bacillus subtilis)

DIPQPIRGDKGATVKIPRNIERDRQNPDMLVPPETDHGTVSNMKFSFSDT
HNRLEKGGYAREVTVRELPISENLASVNMRLKPGAIRELHYHKEAEWAYM
IYGSARVTIVDEKGRSFIDDVGEGDLWYFPSGLPHSIQALEEGAEFLLVF
DDGSFSENSTFQLTDWLAHTPKEVIAANFGVTKEEISNLPGKEKYIFENQ
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: 6ufi Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ufi Oxalate decarboxylase uses electron hole hopping for catalysis.
• Resolution: 1.72 Å
• Binding residue (original residue number in PDB): H273 H275 E280 H319 E333
• Binding residue (residue number reindexed from 1): H268 H270 E275 H314 E328
• 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:6ufi, PDBe:6ufi, PDBj:6ufi
• PDBsum: 6ufi
• PubMed: 34097877
• UniProt: O34714|OXDC_BACSU Oxalate decarboxylase OxdC (Gene Name=oxdC)