Structure of PDB 1a7d Chain A Binding Site BS01

Receptor Information
>1a7d Chain A (length=118) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GWEIPEPYVWDESFRVFYEQLDEEHKKIFKGIFDCIRDNSAPNLATLVKV
TTNHFTHEEAMMDAAKYSEVVPHKKMHKDFLEKIGGLSAPVDAKNVDYCK
EWLVNHIKGTDFKYKGKL
Ligand information
Ligand IDCFO
InChIInChI=1S/ClH.2Fe.O/h1H;;;/q;;+1;/p-1
InChIKeyKBTPJIQAZMMQJH-UHFFFAOYSA-M
SMILES
SoftwareSMILES
CACTVS 3.341Cl[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]Cl
FormulaCl Fe2 O
NameCHLORO DIIRON-OXO MOIETY
ChEMBL
DrugBank
ZINC
PDB chain1a7d Chain A Residue 119 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a7d Structures of wild-type chloromet and L103N hydroxomet Themiste zostericola myohemerythrins at 1.8 A resolution.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H25 H54 F55 E58 H73 H77 H106 D111
Binding residue
(residue number reindexed from 1)		H25 H54 F55 E58 H73 H77 H106 D111
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:1a7d, PDBe:1a7d, PDBj:1a7d
PDBsum1a7d
PubMed9188702
UniProtP02247|HEMTM_THEHE Myohemerythrin

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