Structure of PDB 2vxj Chain S Binding Site BS01

Receptor Information

>2vxj Chain S (length=121) Species: 208964 (Pseudomonas aeruginosa PAO1)

AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREH
PDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYND
VPGTYGNNSGSFSVNIGKDQS

Ligand information

• Ligand ID: BGC
• 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-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 2vxj Chain q Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2vxj Structural Basis of the Preferential Binding for Globo-Series Glycosphingolipids Displayed by Pseudomonas Aeruginosa Lectin I.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): P51 Q53
• Binding residue (residue number reindexed from 1): P51 Q53
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

Biological Process

• GO:0007157 heterophilic cell-cell adhesion via plasma membrane cell adhesion molecules

Cellular Component

• GO:0005737 cytoplasm
• GO:0009986 cell surface
• GO:0042597 periplasmic space

External links

• PDB: RCSB:2vxj, PDBe:2vxj, PDBj:2vxj
• PDBsum: 2vxj
• PubMed: 18762193
• UniProt: Q05097|PA1L_PSEAE PA-I galactophilic lectin (Gene Name=lecA)