Structure of PDB 1lt6 Chain P Binding Site BS01

Receptor Information
>1lt6 Chain P (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 IDGAA
InChIInChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1
InChIKeyVCCMGHVCRFMITI-IIRVCBMXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](Oc2cccc(c2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0c1cc(cc(c1)OC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]
ACDLabs 10.04[O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)ccc2
CACTVS 3.341OC[CH]1O[CH](Oc2cccc(c2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]
FormulaC12 H15 N O8
Name3-nitrophenyl alpha-D-galactopyranoside;
METANITROPHENYL-ALPHA-D-GALACTOSIDE;
3-nitrophenyl alpha-D-galactoside;
3-nitrophenyl D-galactoside;
3-nitrophenyl galactoside
ChEMBL
DrugBankDB02213
ZINCZINC000006535005
PDB chain1lt6 Chain P Residue 104 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lt6 Structural foundation for the design of receptor antagonists targeting Escherichia coli heat-labile enterotoxin.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E51 Q56 H57 Q61 W88 N90 K91
Binding residue
(residue number reindexed from 1)		E51 Q56 H57 Q61 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:1lt6, PDBe:1lt6, PDBj:1lt6
PDBsum1lt6
PubMed9384564
UniProtP32890|ELBP_ECOLX Heat-labile enterotoxin B chain (Gene Name=eltB)

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