Structure of PDB 2ohj Chain D Binding Site BS02

Receptor Information

>2ohj Chain D (length=403) Species: 145262 (Methanothermobacter thermautotrophicus)

MKAAAKRISDGVYWTGVLDWDLRNYHGYTLQGTTYNAYLVCGDEGVALID
NSYPGTFDELMARVEDALQQVGMERVDYIIQNHVEKDHSGVLVELHRRFP
EAPIYCTEVAVKGLLKHYPSLREAEFMTVKTGDVLDLGGKTLTFLETPLL
HWPDSMFTLLDEDGILFSNDAFGQHLCCPQRLDREIPEYILMDAARKFYA
NLITPLSKLVLKKFDEVKELGLLERIQMIAPSHGQIWTDPMKIIEAYTGW
ATGMVDERVTVIYDTMHGSTRKMAHAIAEGAMSEGVDVRVYCLHEDDRSE
IVKDILESGAIALGAPTIYDEPYPSVGDLLMYLRGLKFNRTLTRKALVFG
SMGGNGGATGTMKELLAEAGFDVACEEEVYYVPTGDELDACFEAGRKLAA
EIR

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 2ohj Chain D Residue 2502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ohj Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
• Resolution: 2.26 Å
• Binding residue (original residue number in PDB): H26 E85 D87
• Binding residue (residue number reindexed from 1): H26 E85 D87
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H26 H83 E85 D87 H151 D170 F198 H233
• Catalytic site (residue number reindexed from 1): H26 H83 E85 D87 H151 D170 F198 H233
• Enzyme Commision number: 1.5.3.22: coenzyme F420H2 oxidase.

Gene Ontology

Molecular Function

• GO:0009055 electron transfer activity
• GO:0010181 FMN binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:2ohj, PDBe:2ohj, PDBj:2ohj
• PDBsum: 2ohj
• PubMed: 17480207
• UniProt: Q50497|FPRA_METTM Coenzyme F420H(2) oxidase (Gene Name=fprA)