Structure of PDB 7thw Chain A Binding Site BS01

Receptor Information
>7thw Chain A (length=158) Species: 214092 (Yersinia pestis CO92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMLLGAWDNAYIAAAMPLLLLVENIRSWPTRNAAEVRPPIVRELQYFQQ
HLQKKNYPQEDINHLSYLLCTYIDGIFNGNQSLLVEFHRDAWGGEDCFEH
LRVYMNSPKQYREVLEFYDLIMCLGFDGKYQMIEHGAVLLMDLRSRLHTQ
LYGQDATQ
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 chain7thw 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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PDB7thw Crystal Structure of the Soluble Domain of the Putative OmpA -Family Membrane Protein YPO0514 from Yersinia pestis
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G138 D141 E255
Binding residue
(residue number reindexed from 1)		G6 D9 E116
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links