Structure of PDB 1e5d Chain A Binding Site BS02

Receptor Information
>1e5d Chain A (length=401) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QATKIIDGFHLVGAIDWNSRDFHGYTLSPMGTTYNAYLVEDEKTTLFDTV
KAEYKGELLCGIASVIDPKKIDYLVIQHLELDHAGALPALIEACQPEKIF
TSSLGQKAMESHFHYKDWPVQVVKHGETLSLGKRTVTFYETRMLHWPDSM
VSWFADEKVLISNDIFGQNIAASERFSDQIPVHTLERAMREYYANIVNPY
APQTLKAIETLVGAGVAPEFICPDHGVIFRGADQCTFAVQKYVEYAEQKP
TNKVVIFYDSMWHSTEKMARVLAESFRDEGCTVKLMWCKACHHSQIMSEI
SDAGAVIVGSPTHNNGILPYVAGTLQYIKGLRPQNKIGGAFGSFGWSGES
TKVLAEWLTGMGFDMPATPVKVKNVPTHADYEQLKTMAQTIARALKAKLA
A
Ligand information
Ligand IDFEO
InChIInChI=1S/2Fe.O
InChIKeyNPMYUMBHPJGBFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]
FormulaFe2 O
NameMU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain1e5d Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e5d Structure of a Dioxygen Reduction Enzyme from Desulfovibrio Gigas
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H79 E81 D83 H146 D165 H226
Binding residue
(residue number reindexed from 1)		H78 E80 D82 H145 D164 H225
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H24 H79 E81 D83 H146 D165 Y193 H226
Catalytic site (residue number reindexed from 1) H23 H78 E80 D82 H145 D164 Y192 H225
Enzyme Commision number 1.-.-.-
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0022904 respiratory electron transport chain

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Molecular Function
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Biological Process
External links
PDB RCSB:1e5d, PDBe:1e5d, PDBj:1e5d
PDBsum1e5d
PubMed11062560
UniProtQ9F0J6|ROO_MEGG1 Rubredoxin-oxygen oxidoreductase (Gene Name=roo)

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