Structure of PDB 1iub Chain A Binding Site BS01

Receptor Information

>1iub Chain A (length=312) Species: 5188 (Aleuria aurantia)

PTEFLYTSKIAAISWAATGGRQQRVYFQDLNGKIREAQRGGDNPWTGGSS
QNVIGEAKLFSPLAAVTWKSAQGIQIRVYCVNKDNILSEFVYDGSKWITG
QLGSVGVKVGSNSKLAALQWGGSESAPPNIRVYYQKSNGSGSSIHEYVWS
GKWTAGASFGSTVPGTGIGATAIGPGRLRIYYQATDNKIREHCWDSNSWY
VGGFSASASAGVSIAAISWGSTPNIRVYWQKGREELYEAAYGGSWNTPGQ
IKDASRPTPSLPDTFIAANSSGNIDISVFFQASGVSLQQWQWISGKGWSI
GAVVPTGTPAGW

Ligand information

• Ligand ID: FUL
• 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-KGJVWPDLSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  CACTVS 3.341: C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: beta-L-fucopyranose;
  beta-L-fucose;
  6-deoxy-beta-L-galactopyranose;
  L-fucose;
  fucose;
  6-DEOXY-BETA-L-GALACTOSE
• ChEMBL: CHEMBL1230861
• DrugBank: DB03283
• ZINC: ZINC000001532813
• PDB chain: 1iub Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1iub Crystal Structure of Fucose-Specific Lectin from Aleuria aurantia Binding Ligands at Three of Its Five Sugar Recognition Sites
• Resolution: 2.31 Å
• Binding residue (original residue number in PDB): R77 E89 Q101 W149 W153
• Binding residue (residue number reindexed from 1): R77 E89 Q101 W149 W153
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding
• GO:0042802 identical protein binding
• GO:0042803 protein homodimerization activity
• GO:0042806 fucose binding

Biological Process

• GO:0030582 reproductive fruiting body development
• GO:0050832 defense response to fungus

External links

• PDB: RCSB:1iub, PDBe:1iub, PDBj:1iub
• PDBsum: 1iub
• PubMed: 14503859
• UniProt: P18891|LECF_ALEAU Fucose-specific lectin