Structure of PDB 1bos Chain J Binding Site BS02
Receptor Information
>1bos Chain J (length=69) Species:
12371
(Phage h30) [
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TPDCVTGKVEYTKYNDDDTFTVKVGDKELFTNRWNLQSLLLSAQITGMTV
TIKTNACHNGGGFSEVIFR
Ligand information
Ligand ID
GLA
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-PHYPRBDBSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBL
CHEMBL1233058
DrugBank
ZINC
ZINC000000901155
PDB chain
1bos Chain r Residue 3 [
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Receptor-Ligand Complex Structure
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PDB
1bos
Structure of the shiga-like toxin I B-pentamer complexed with an analogue of its receptor Gb3.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
T2531 N2532 R2533 F2563 S2564
Binding residue
(residue number reindexed from 1)
T31 N32 R33 F63 S64
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0090729
toxin activity
Biological Process
GO:0019836
hemolysis by symbiont of host erythrocytes
GO:0098676
modulation of host virulence by virus
Cellular Component
GO:0005576
extracellular region
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1bos
,
PDBe:1bos
,
PDBj:1bos
PDBsum
1bos
PubMed
9485303
UniProt
P69179
|STXB_BPH19 Shiga-like toxin 1 subunit B (Gene Name=stxB)
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