Structure of PDB 1d1i Chain A Binding Site BS03
Receptor Information
>1d1i Chain A (length=69) Species:
562
(Escherichia coli) [
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TPDCVTGKVEYTKYNDDDTFTVKVGDKELFTNRANLQSLLLSAQITGMTV
TIKTNACHNGGGFSEVIFR
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
1d1i Chain G Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
1d1i
Mutated Shiga-like Toxin B Subunit (W34A) Complexed with Receptor Gb3 Analogue
Resolution
1.7 Å
Binding residue
(original residue number in PDB)
T154 N155 G162
Binding residue
(residue number reindexed from 1)
T54 N55 G62
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:1d1i
,
PDBe:1d1i
,
PDBj:1d1i
PDBsum
1d1i
PubMed
UniProt
P69179
|STXB_BPH19 Shiga-like toxin 1 subunit B (Gene Name=stxB)
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