Structure of PDB 1ws4 Chain G Binding Site BS04

Receptor Information

>1ws4 Chain G (length=133) Species: 3490 (Artocarpus integer)

GKAFDDGAFTGIREINLSYNKETAIGDFQVVYDLNGSPYVGQNHVSFITG
FTPVKISLDFPSEYIMEVSGYTGNVSGYVVVRSLTFKTNKKTYGPYGVTS
GTPFNLPIENGLIVGFKGSIGYWLDYFSMYLSL

Ligand information

• Ligand ID: GYP
• 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-ZFYZTMLRSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(O)C(OC1OC)CO
  OpenEye OEToolkits 1.5.0: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
  CACTVS 3.341: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
  CACTVS 3.341: CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: COC1C(C(C(C(O1)CO)O)O)O
• Formula: C7 H14 O6
• Name: methyl alpha-D-glucopyranoside;
  METHYL-ALPHA-D-GLUCOPYRANOSIDE;
  ALPHA-METHYL-D-GLUCOPYRANOSIDE;
  methyl alpha-D-glucoside;
  methyl D-glucoside;
  methyl glucoside
• ChEMBL: CHEMBL131853
• ZINC: ZINC000003861272
• PDB chain: 1ws4 Chain G Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ws4 Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificity
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): G1 Y78 G121 Y122 W123 D125
• Binding residue (residue number reindexed from 1): G1 Y78 G121 Y122 W123 D125
• Annotation score: 1
• Binding affinity: MOAD: Kd=1mM

Gene Ontology

Molecular Function

• GO:0019862 IgA binding
• GO:0030246 carbohydrate binding

Biological Process

• GO:0008150 biological_process

Cellular Component

• GO:0005575 cellular_component

External links

• PDB: RCSB:1ws4, PDBe:1ws4, PDBj:1ws4
• PDBsum: 1ws4
• PubMed: 15733927
• UniProt: P18670|LECA_ARTIN Agglutinin alpha chain