Structure of PDB 2e7t Chain C Binding Site BS01

Receptor Information

>2e7t Chain C (length=237) Species: 3891 (Psophocarpus tetragonolobus)

KTISFNFNQFHQNEEQLKLQRDARISSNSVLELTKVVNGVPTWNSTGRAL
YAKPVQVWDSTTGNVASFETRFSFSIRQPFPRPHPADGLVFFIAPPNTQT
GEGGGYFGIYNPLSPYPFVAVEFDTFRNTWDPQIPHIGIDVNSVISTKTV
PFTLDNGGIANVVIKYDASTKILHVVLVFPSLGTIYTIADIVDLKQVLPE
SVNVGFSAATGDPSGKQRNATETHDILSWSFSASLPG

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: 2e7t Chain M Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2e7t Generation of blood group specificity: New insights from structural studies on the complexes of A- and B-reactive saccharides with basic winged bean agglutinin
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): S214 K216
• Binding residue (residue number reindexed from 1): S214 K216
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:2e7t, PDBe:2e7t, PDBj:2e7t
• PDBsum: 2e7t
• PubMed: 17510954
• UniProt: O24313|LEC1_PSOTE Basic agglutinin (Gene Name=WBAI)