Structure of PDB 1otn Chain A Binding Site BS01

Receptor Information
>1otn Chain A (length=207) Species: 1639 (Listeria monocytogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETITVSTPIKQIFPDAAFAETIKDNLKKKSVTDAVTQNELNSIDQIIANN
SDIKSVQGIQYLPNVTKLFLNGNKLTDIKPLTNLKNLGWLFLDENKIKDL
SSLKDLKKLKSLSLEHNGISDINGLVHLPQLESLYLGNNKITDITVLSRL
TKLDTLSLEDNQISDIVPLAGLTKLQNLYLSKNHISDLRALAGLKNLDVL
ELFSQEC
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1otn Chain A Residue 250 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1otn Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Resolution1.97 Å
Binding residue
(original residue number in PDB)		E55 D59
Binding residue
(residue number reindexed from 1)		E20 D24
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1otn, PDBe:1otn, PDBj:1otn
PDBsum1otn
PubMed15020228
UniProtP0DQD2|INLB_LISMO Internalin B (Gene Name=inlB)

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