Structure of PDB 2cyf Chain A Binding Site BS01

Receptor Information

>2cyf Chain A (length=230) Species: 3825 (Canavalia rosea)

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKTNALHFVFNQFSKDQKDLILQGDATTGTDGNLEL
TRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFIKSSDSHPA
DGIAFFISNIDSSIPSGSTGRLLGLFPDAN

Ligand information

• Ligand ID: GLC
• 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-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)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)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
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 2cyf Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2cyf Crystal structure of a lectin from Canavalia maritima (ConM) in complex with trehalose and maltose reveals relevant mutation in ConA-like lectins
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): Y12 L99
• Binding residue (residue number reindexed from 1): Y12 L99
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005537 D-mannose binding
• GO:0030246 carbohydrate binding
• GO:0046872 metal ion binding
• GO:0090729 toxin activity

Biological Process

• GO:0035821 modulation of process of another organism

External links

• PDB: RCSB:2cyf, PDBe:2cyf, PDBj:2cyf
• PDBsum: 2cyf
• PubMed: 16677825
• UniProt: P55915|CONA_CANBR Concanavalin-Br