Structure of PDB 2dtw Chain A Binding Site BS01

Receptor Information

>2dtw Chain A (length=237) Species: 3891 (Psophocarpus tetragonolobus)

KTISFNFNQFHQNEEQLKLQRDARISSNSVLELTKVVNGVPTWNSTGRAL
YAKPVQVWDSTTGNVASFETRFSFSIRQPFPRPHPADGLVFFIAPPNTQT
GEGGGYFGIYNPLSPYPFVAVEFDTFRNTWDPQIPHIGIDVNSVISTKTV
PFTLDNGGIANVVIKYDASTKILHVVLVFPSLGTIYTIADIVDLKQVLPE
SVNVGFSAATGDPSGKQRNATETHDILSWSFSASLPG

Ligand information

• Ligand ID: 2GS
• InChI: InChI=1S/C7H14O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
• InChIKey: UMPNFVHHMOSNAC-PZRMXXKTSA-N
• SMILES:
  CACTVS 3.341: CO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
  ACDLabs 10.04: O(C)C1C(O)C(O)C(OC1O)CO
  OpenEye OEToolkits 1.5.0: COC1C(C(C(OC1O)CO)O)O
  OpenEye OEToolkits 1.5.0: CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O
  CACTVS 3.341: CO[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
• Formula: C7 H14 O6
• Name: 2-O-methyl-alpha-D-galactopyranose;
  2-O-methyl-alpha-D-galactose;
  2-O-methyl-D-galactose;
  2-O-methyl-galactose
• PDB chain: 2dtw Chain A Residue 1401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2dtw Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): D87 G105 F126 N128 G211 G215 A220
• Binding residue (residue number reindexed from 1): D87 G105 F126 N128 G211 G215 A220
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:2dtw, PDBe:2dtw, PDBj:2dtw
• PDBsum: 2dtw
• PubMed: 17057334
• UniProt: O24313|LEC1_PSOTE Basic agglutinin (Gene Name=WBAI)