Structure of PDB 1i6n Chain A Binding Site BS01

Receptor Information
>1i6n Chain A (length=278) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLCFNEATTLENSNLKLDLELCEKHGYDYIEIRTMDKLPEYLKDHSLDD
LAEYFQTHHIKPLALNALVFFNNRDEKGHNEIITEFKGMMETCKTLGVKY
VVAVPLVTEQKIVKEEIKKSSVDVLTELSDIAEPYGVKIALEFVGHPQCT
VNTFEQAYEIVNTVNRDNVGLVLDSFHFHAMGSNIESLKQADGKKIFIYH
IDDTEDFPIGFLTDEDRVWPGQGAIDLDAHLSALKEIGFSDVVSVELFRP
EYYKLTAEEAIQTAKKTTVDVVSKYFSM
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1i6n Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1i6n Crystal structure of Bacillus subtilis ioli shows endonuclase IV fold with altered Zn binding.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E142 D174 H200 E246
Binding residue
(residue number reindexed from 1)		E142 D174 H200 E246
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.99.11: 2-keto-myo-inositol isomerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1i6n, PDBe:1i6n, PDBj:1i6n
PDBsum1i6n
PubMed12112707
UniProtP42419|IOLI_BACSU Inosose isomerase (Gene Name=iolI)

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