Structure of PDB 2ibn Chain A Binding Site BS01

Receptor Information
>2ibn Chain A (length=241) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMDRVFTTYKLMHTHQTVDFVRSKHAQFGGFSYKKMTVMEAVDLLDGLVD
ESDDFPNSFHAFQTAEGIRKAHPDKDWFHLVGLLHDLGKVLALFGEPQWA
VVGDTFPVGCRPQASVVFCDSTFQDNPDLQDPRYSTELGMYQPHCGLDRV
LMSWGHDEYMYQVMKFNKFSLPPEAFYMIRFHSFYPWHTGRDYQQLCSQQ
DLAMLPWVREFNKFDLLPDVDKLRPYYQGLIDKYCPGILSW
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2ibn Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ibn Structural and Biophysical Characterization of Human myo-Inositol Oxygenase
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H98 H123 D124 D253
Binding residue
(residue number reindexed from 1)		H60 H85 D86 D215
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.99.1: inositol oxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0050113 inositol oxygenase activity
Biological Process
GO:0019310 inositol catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ibn, PDBe:2ibn, PDBj:2ibn
PDBsum2ibn
PubMed18364358
UniProtQ9UGB7|MIOX_HUMAN Inositol oxygenase (Gene Name=MIOX)

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