Structure of PDB 2ibn Chain A Binding Site BS04

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 IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain2ibn Chain A Residue 708 [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)		W225 R229 Q232 C235 L240
Binding residue
(residue number reindexed from 1)		W187 R191 Q194 C197 L202
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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