Structure of PDB 2p37 Chain D Binding Site BS01

Receptor Information

>2p37 Chain D (length=233) Species: 3825 (Canavalia rosea)

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSETNALHFVFNQFSKDQKDLILQGDATTGTDGNL
ELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIKSSDS
HPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

Ligand information

• Ligand ID: ZEL
• InChI: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1
• InChIKey: HOVAGTYPODGVJG-BNWJMWRWSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O
  ACDLabs 12.01: OC1C(O)C(O)C(OC1OC)CO
  CACTVS 3.370: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: COC1C(C(C(C(O1)CO)O)O)O
• Formula: C7 H14 O6
• Name: methyl beta-D-altropyranoside
• ZINC: ZINC000012358689
• PDB chain: 2p37 Chain H Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2p37 Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): Y12 L99 Y100
• Binding residue (residue number reindexed from 1): Y12 L99 Y100
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:2p37, PDBe:2p37, PDBj:2p37
• PDBsum: 2p37
• PubMed: 17881248
• UniProt: P81364|CONA_CANRO Concanavalin-Ma