Structure of PDB 2et1 Chain A Binding Site BS01

Receptor Information

>2et1 Chain A (length=201) Species: 4513 (Hordeum vulgare)

TDPDPLQDFCVADLDGKAVSVNGHTCKPMSEAGDDFLFSSKLTKAGNTST
PNGSAVTELDVAEWPGTNTLGVSMNRVDFAPGGTNPPHIHPRATEIGMVM
KGELLVGILGSLDSGNKLYSRVVRAGETFVIPRGLMHFQFNVGKTEAYMV
VSFNSQNPGIVFVPLTLFGSDPPIPTPVLTKALRVEAGVVELLKSKFAGG
S

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: 2et1 Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2et1 Structural and spectroscopic studies shed light on the mechanism of oxalate oxidase
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): H88 H90 E95 H137
• Binding residue (residue number reindexed from 1): H88 H90 E95 H137
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N75 V77 N85 H88 H90 E95 H137 Q139 M149
• Catalytic site (residue number reindexed from 1): N75 V77 N85 H88 H90 E95 H137 Q139 M149
• Enzyme Commision number: 1.2.3.4: oxalate oxidase.

Gene Ontology

Molecular Function

• GO:0004784 superoxide dismutase activity
• GO:0016491 oxidoreductase activity
• GO:0030145 manganese ion binding
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding
• GO:0050162 oxalate oxidase activity

Biological Process

• GO:0019430 removal of superoxide radicals
• GO:0071555 cell wall organization

Cellular Component

• GO:0048046 apoplast
• GO:1902693 superoxide dismutase complex

External links

• PDB: RCSB:2et1, PDBe:2et1, PDBj:2et1
• PDBsum: 2et1
• PubMed: 16291738
• UniProt: P45850|OXO1_HORVU Oxalate oxidase 1