Structure of PDB 1ona Chain C Binding Site BS01

Receptor Information

>1ona Chain C (length=231) Species: 3823 (Canavalia ensiformis)

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKTNALHFMFNQFSKDQKDLILQGDATTGTDGNLEL
TRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHP
ADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

Ligand information

• Ligand ID: MAN
• 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-PQMKYFCFSA-N
• SMILES:
  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
  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([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: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 1ona Chain G Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ona A structure of the complex between concanavalin A and methyl-3,6-di-O-(alpha-D-mannopyranosyl)-alpha-D-mannopyranoside reveals two binding modes.
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): Y12 P13 T15 D16
• Binding residue (residue number reindexed from 1): Y12 P13 T15 D16
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:1ona, PDBe:1ona, PDBj:1ona
• PDBsum: 1ona
• PubMed: 8940035
• UniProt: P02866|CONA_CANEN Concanavalin-A