Structure of PDB 2q9u Chain B Binding Site BS02

Receptor Information

>2q9u Chain B (length=407) Species: 5741 (Giardia intestinalis)

KYVQDQEMIPGVYWVGIVDWMVRIFHGYHTDEGSSYNSYFIDDECPTVID
SVKYPFAEEWLSRIAACCPLDKIKYVVMNHAEGDHASSLKDHYHKFTNAT
FVCTKKCQEHLKILYGMEKATWLIVDDKYTLKIGKRTLKFIPVPLLHWPD
STFTYCPEDKILFSNDGFGQHYATSRRWADECDVSHVMHLFKEYTANILG
LFSAQMRKALEVASTVEIKYILSAHGVSWRGDAMGLAIAEYDRWSKGQHC
QKKVTVVLDSMYGTTHRMALALLDGARSTGCETVLLEMTSSDITKVALHT
YDSGAVAFASPTLNNTMMPSVAAALNYVRGLTLIKGKPAFAFGAFGWSNR
AVPDIVAELRDGCKADVYDEKGITFKFNYTEELLEQAYNAGVDLGKRAIA
YCEKNAP

Ligand information

• Ligand ID: FEO
• InChI: InChI=1S/2Fe.O
• InChIKey: NPMYUMBHPJGBFA-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Fe]O[Fe]
  OpenEye OEToolkits 1.5.0: O([Fe])[Fe]
• Formula: Fe2 O
• Name: MU-OXO-DIIRON
• PDB chain: 2q9u Chain B Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2q9u The O2-scavenging flavodiiron protein in the human parasite Giardia intestinalis
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H85 E87 D89 H90 H152 D171 H230
• Binding residue (residue number reindexed from 1): H80 E82 D84 H85 H147 D166 H225
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H31 H85 E87 D89 H152 D171 Y199 H230
• Catalytic site (residue number reindexed from 1): H26 H80 E82 D84 H147 D166 Y194 H225

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0009055 electron transfer activity
• GO:0010181 FMN binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:2q9u, PDBe:2q9u, PDBj:2q9u
• PDBsum: 2q9u
• PubMed: 18077462
• UniProt: Q86QZ1