Structure of PDB 5exd Chain I Binding Site BS03

Receptor Information

>5exd Chain I (length=309) Species: 264732 (Moorella thermoacetica ATCC 39073)

MLDRIASIKKAPDEEYYVPGHRTCAGCGPALTYRLVAKAAGPNTIFIGPT
GCMYVANTSYGCGPWRVPWIHAQITNGGAVASGIEAAYKAMIRKKKTDAE
FPNIIVMAGDGGAVDIGLQALSAMLYRGHDVLFICYDNESYANTGIQTSP
TTPYGANTTFTPPGEVVPEGKKLFPKDNPKVIAHGHPELKYVATASIGWP
VDLMNKVRKGLNQEGPAYIHIHAPCPKGWQFPADKTIEMAKLAVQTGMFQ
LYEYENGEYKLSVKVDKRKPVSEYMKLQKRFAHLKPEHIAKMQAFVDARC
AEVGITVPV

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 5exd Chain I Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5exd One-carbon chemistry of oxalate oxidoreductase captured by X-ray crystallography.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): D110 N138 S140
• Binding residue (residue number reindexed from 1): D110 N138 S140
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N143
• Catalytic site (residue number reindexed from 1): N143
• Enzyme Commision number: 1.2.7.10: oxalate oxidoreductase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016491 oxidoreductase activity
• GO:0016625 oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
• GO:0030976 thiamine pyrophosphate binding
• GO:0046872 metal ion binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0033611 oxalate catabolic process

External links

• PDB: RCSB:5exd, PDBe:5exd, PDBj:5exd
• PDBsum: 5exd
• PubMed: 26712008
• UniProt: Q2RI42|OORB_MOOTA Oxalate oxidoreductase subunit beta (Gene Name=Moth_1591)