Structure of PDB 1i4y Chain A Binding Site BS01

Receptor Information
>1i4y Chain A (length=113) Species: 6442 (Phascolopsis gouldii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFPIPDPYVWDPSFRTFYSIIDDEHKTLFNGIFHLAIDDNADNLGELRRC
TGKHFLNEQVLMQASQYQFYDEHKKEHETFIHALDNWKGDVKWAKSWLVN
HIKTIDFKYKGKI
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 chain1i4y Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1i4y The crystal structures of Phascolopsis gouldii wild type and L98Y methemerythrins: structural and functional alterations of the O2 binding pocket.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H25 H54 F55 E58 H73 H77 H101 D106
Binding residue
(residue number reindexed from 1)		H25 H54 F55 E58 H73 H77 H101 D106
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier activity
GO:0005506 iron ion binding
GO:0046872 metal ion binding
Biological Process
GO:0015671 oxygen transport
GO:0098771 inorganic ion homeostasis

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Molecular Function
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Biological Process
External links
PDB RCSB:1i4y, PDBe:1i4y, PDBj:1i4y
PDBsum1i4y
PubMed11372200
UniProtP02244|HEMT_PHAGO Hemerythrin

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