Structure of PDB 4e1c Chain A Binding Site BS02

Receptor Information
>4e1c Chain A (length=356) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATPDFPTHFPKSSIGIENELAGLVVAMPANSAQKFGYVKSAQGDALFMLT
KDMNQGSYQRPPSLQDGKNYQNWQTHTVELVSYPCEMDDKAAVETRKQAM
LWLATHFTTHIDQSNHQPLAPIQSEDGRFVIEITNAKHVIAAGNGISAES
QGQTITMTPSGQQATVGVAAKGFGTSATPELRLLESAPWYQKSLKSQFAS
LTSAENLDDKELAANVFAYLTSIYLKTAELAKKFGIYINEWDPMSEQITP
NANGLTDPKVKNAWEILPRTKPSKIVEILSKSDAKAVMKHIKPQLQSRYS
ESLSKNVFQYFQDGGEVAGHGINNATVGDKHSPELAILFEFRTVPNELQS
YLPKTE
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 chain4e1c Chain A Residue 403 [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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PDB4e1c Structure and functional characterization of the Vibrio cholerae toxin from the VgrG/MARTX family.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		E16 Q162 E339
Binding residue
(residue number reindexed from 1)		E17 Q163 E340
Annotation score4
Enzymatic activity
Enzyme Commision number 6.3.2.-
Gene Ontology
Biological Process
GO:0007015 actin filament organization

View graph for
Biological Process
External links
PDB RCSB:4e1c, PDBe:4e1c, PDBj:4e1c
PDBsum4e1c
PubMed
UniProtA0A0H3AIG7|VGRG1_VIBC3 Actin cross-linking toxin VgrG1 (Gene Name=vgrG1)

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