Structure of PDB 2ici Chain A Binding Site BS01

Receptor Information
>2ici Chain A (length=227) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YEMSSVGVINLRNMYSTYDPTEVKGKINEGPPFSGSLFYKNIPYGNSSIE
LKVEMNSVEKANFFSGKRVDIFTLEYSPPSNSNIKKNSYGGITLSDGNRI
DKKNIPVNIFIDGVQQKYSYTDISTVSTDKKEVTIQELDVKSRYYLQKHF
NIYGFGDVKDFGRSSRFQSGFEEGNIIFHLNSGERISYNMFDTGHGDRES
MLKKYSDNKTAYSDQLHIDIYLVKFNK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2ici Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ici Crystal Structure of the Streptococcal Superantigen SpeI and Functional Role of a Novel Loop Domain in T Cell Activation by Group V Superantigens.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		H179 H217 D219
Binding residue
(residue number reindexed from 1)		H179 H217 D219
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:2ici, PDBe:2ici, PDBj:2ici
PDBsum2ici
PubMed17303163
UniProtQ1CQP3

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