Structure of PDB 1g9u Chain A Binding Site BS01

Receptor Information
>1g9u Chain A (length=353) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSKTEYYNAWSEWERNAPPGNGEQREMAVSRLRDCLDRQAHELELNNLGL
SSLPELPPHLESLVASCNSLTELPELPQSLKSLLVDNNNLKALSDLPPLL
EYLGVSNNQLEKLPELQNSSFLKIIDVDNNSLKKLPDLPPSLEFIAAGNN
QLEELPELQNLPFLTAIYADNNSLKKLPDLPLSLESIVAGNNILEELPEL
QNLPFLTTIYADNNLLKTLPDLPPSLEALNVRDNYLTDLPELPQSLTFLD
VSENIFSGLSELPPNLYYLNASSNEIRSLCDLPPSLEELNVSNNKLIELP
ALPPRLERLIASFNHLAEVPELPQNLKQLHVEYNPLREFPDIPESVEDLR
MNS
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 chain1g9u Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g9u Unusual molecular architecture of the Yersinia pestis cytotoxin YopM: a leucine-rich repeat protein with the shortest repeating unit.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		N246 D266
Binding residue
(residue number reindexed from 1)		N213 D233
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0005576 extracellular region
GO:0009279 cell outer membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:1g9u, PDBe:1g9u, PDBj:1g9u
PDBsum1g9u
PubMed11575934
UniProtP17778|YOPM_YERPE Outer membrane protein YopM (Gene Name=yopM)

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