Structure of PDB 1lt5 Chain H Binding Site BS01

Receptor Information
>1lt5 Chain H (length=103) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQV
EVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAIS
MKN
Ligand information
Ligand IDYIO
InChIInChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5-,6+/m1/s1
InChIKeyJUSMHIGDXPKSID-PHYPRBDBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O
OpenEye OEToolkits 1.6.1C(C1C(C(C(C(O1)S)O)O)O)O
CACTVS 3.352OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@H]1O
CACTVS 3.352OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5 S
Name1-thio-beta-D-galactopyranose;
(2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-SULFANYL-OXANE-3,4,5-TRIOL;
1-thio-beta-D-galactose;
1-thio-D-galactose;
1-thio-galactose
ChEMBL
DrugBank
ZINCZINC000003873643
PDB chain1lt5 Chain K Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lt5 Structural foundation for the design of receptor antagonists targeting Escherichia coli heat-labile enterotoxin.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E51 Q56 H57 W88 N90 K91
Binding residue
(residue number reindexed from 1)		E51 Q56 H57 W88 N90 K91
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0031640 killing of cells of another organism
GO:0035821 modulation of process of another organism
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:1lt5, PDBe:1lt5, PDBj:1lt5
PDBsum1lt5
PubMed9384564
UniProtP32890|ELBP_ECOLX Heat-labile enterotoxin B chain (Gene Name=eltB)

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