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BioLiP

Structure of PDB 4owj Chain E Binding Site BS02

Receptor Information
>4owj Chain E (length=131) Species: 216895 (Vibrio vulnificus CMCP6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAHVTLQSLSNNDLCLDVYGENGDKTVAGGSVNGWSCHGSWNQVWGLDKE
ERYRSRVASDRCLTVNADKTLTVEQCGANLAQKWYWEGDKLISRYVDGNN
TRYLLNIVGGRNVQVTPENEANQARWKPTLQ
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain4owj Chain E Residue 502 [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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PDB4owj Glycan Specificity of the Vibrio vulnificus Hemolysin Lectin Outlines Evolutionary History of Membrane Targeting by a Toxin Family.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W422 G424 P464
Binding residue
(residue number reindexed from 1)		W86 G88 P128
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4owj, PDBe:4owj, PDBj:4owj
PDBsum4owj
PubMed24862282
UniProtP19247|VVHA_VIBVU Cytolysin (Gene Name=vvhA)

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