Structure of PDB 3ffo Chain A Binding Site BS01

Receptor Information

>3ffo Chain A (length=176) Species: 562 (Escherichia coli)

VVSFIGSTENDVGPSQGSYSSTHAMDNLPFVYNTGYNIGYQNANVWRIGG
GFCVGLDGKVDLPVVGSLDGQSIYGLTEEVGLLIWMGDTNYSRGTAMSGN
SWENVFSGWCVGNYLSTQGLSVHVRPVILKRNSSAQYSVQKTSIGSIRMR
PYNGSSAGSVQTTVNFSLNPFTLNDT

Ligand information

• Ligand ID: BMA
• 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-RWOPYEJCSA-N
• 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
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 3ffo Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ffo Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): W109 S116
• Binding residue (residue number reindexed from 1): W109 S116
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0044406 adhesion of symbiont to host

Cellular Component

• GO:0009289 pilus

External links

• PDB: RCSB:3ffo, PDBe:3ffo, PDBj:3ffo
• PDBsum: 3ffo
• PubMed: 24833052
• UniProt: Q47200|F17BG_ECOLX F17b-G fimbrial adhesin (Gene Name=f17bG)