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Structure of PDB 1eef Chain L Binding Site BS01

Receptor Information >1eef Chain L (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 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 1eef Chain L Residue 111 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1eef Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives. Resolution 1.8 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 score 4 Binding affinity MOAD: ic50=1.2mM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0090729 toxin activity

	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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