Structure of PDB 3efx Chain F Binding Site BS01

Receptor Information
>3efx Chain F (length=95) Species: 562,243277 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APQNITELCSEYHNTQIYTINDKILSYTESLAGKEMAIITFKNGATFQVE
VDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPNSIAAISMA
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain3efx Chain C Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3efx Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin: 1.9 A crystal structure reveals the details
Resolution1.94 Å
Binding residue
(original residue number in PDB)		Y18 T47 F48 P93 N94
Binding residue
(residue number reindexed from 1)		Y18 T46 F47 P86 N87
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

View graph for
Cellular Component
External links
PDB RCSB:3efx, PDBe:3efx, PDBj:3efx
PDBsum3efx
PubMed15341730
UniProtP01556|CHTB_VIBCH Cholera enterotoxin subunit B (Gene Name=ctxB);
P0CK94|ELBH_ECOLX Heat-labile enterotoxin B chain (Gene Name=eltB)

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