Structure of PDB 5elf Chain J Binding Site BS03

Receptor Information

>5elf Chain J (length=103) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961)

TPQNITDLCAEYHNTQIYTLNDKIFSYTESLAGKREMAIITFKNGAIFQV
EVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAIS
MAN

Ligand information

• Ligand ID: FUC
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-SXUWKVJYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)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
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-fucopyranose;
  alpha-L-fucose;
  6-deoxy-alpha-L-galactopyranose;
  L-fucose;
  fucose
• ChEMBL: CHEMBL1232862
• DrugBank: DB04473
• ZINC: ZINC000001532814
• PDB chain: 5elf Chain Q Residue 5

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5elf High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): A46 I47 F48 P93 H94
• Binding residue (residue number reindexed from 1): A46 I47 F48 P93 H94
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005534 galactose binding
• GO:0046812 host cell surface binding
• GO:0090729 toxin activity

Biological Process

• GO:0035821 modulation of process of another organism
• GO:0042531 positive regulation of tyrosine phosphorylation of STAT protein

Cellular Component

• GO:0005576 extracellular region
• GO:0016020 membrane
• GO:0020002 host cell plasma membrane
• GO:0042597 periplasmic space
• GO:1902494 catalytic complex

External links

• PDB: RCSB:5elf, PDBe:5elf, PDBj:5elf
• PDBsum: 5elf
• PubMed: 27082955
• UniProt: P01556|CHTB_VIBCH Cholera enterotoxin subunit B (Gene Name=ctxB)