Structure of PDB 4owl Chain C Binding Site BS01
Receptor Information
>4owl Chain C (length=131) Species:
216895
(Vibrio vulnificus CMCP6) [
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MAHVTLQSLSNNDLCLDVYGENGDKTVAGGSVNGWSCHGSWNQVWGLDKE
ERYRSRVASDRCLTVNADKTLTVEQCGANLAQKWYWEGDKLISRYVDGNN
TRYLLNIVGGRNVQVTPENEANQARWKPTLQ
Ligand information
Ligand ID
GAL
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKey
WQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
Software
SMILES
CACTVS 3.370
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01
OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
Formula
C6 H12 O6
Name
beta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBL
CHEMBL300520
DrugBank
ZINC
ZINC000002597049
PDB chain
4owl Chain I Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
4owl
Glycan Specificity of the Vibrio vulnificus Hemolysin Lectin Outlines Evolutionary History of Membrane Targeting by a Toxin Family.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
D353 Y355 K361 W371 H374 N378
Binding residue
(residue number reindexed from 1)
D17 Y19 K25 W35 H38 N42
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:4owl
,
PDBe:4owl
,
PDBj:4owl
PDBsum
4owl
PubMed
24862282
UniProt
P19247
|VVHA_VIBVU Cytolysin (Gene Name=vvhA)
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