Structure of PDB 3c1q Chain A Binding Site BS01

Receptor Information
>3c1q Chain A (length=115) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FAFKRGISTPDLALITRQLATLVQSGMPLEECLRAVAEQSEKPRIRTMLV
AVRAKVTEGYTLSDSLGDYPHVFDELFRSMVAAGEKSGHLDSVLERLADY
AENRQKMRSKLQQAS
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 chain3c1q Chain A Residue 2 [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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PDB3c1q The three-dimensional structure of the cytoplasmic domains of EpsF from the type 2 secretion system of Vibrio cholerae
Resolution1.7 Å
Binding residue
(original residue number in PDB)
E151 D155
Binding residue
(residue number reindexed from 1)
E95 D99
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3c1q, PDBe:3c1q, PDBj:3c1q
PDBsum3c1q
PubMed19324092
UniProtP45780|GSPF_VIBCH Type II secretion system protein F (Gene Name=epsF)

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