Structure of PDB 6yoh Chain A Binding Site BS02

Receptor Information

>6yoh Chain A (length=121) Species: 208964 (Pseudomonas aeruginosa PAO1)

AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREH
PDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYND
VPGTYGNNSGSFSVNIGKDQS

Ligand information

• Ligand ID: P4H
• InChI: InChI=1S/C13H10O5/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6,14-17H
• InChIKey: UQQYIAVMUUJWGX-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: Oc1ccc(c(O)c1)C(=O)c2ccc(O)c(O)c2
  OpenEye OEToolkits 2.0.7: c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O
• Formula: C13 H10 O5
• Name: [2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone
• ChEMBL: CHEMBL3182608
• ZINC: ZINC000002512313
• PDB chain: 6yoh Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yoh Non-Carbohydrate Glycomimetics as Inhibitors of Calcium(II)-binding Lectins.
• Resolution: 1.84 Å
• Binding residue (original residue number in PDB): D59 G73 I75 P76 P87 N89 V90
• Binding residue (residue number reindexed from 1): D59 G73 I75 P76 P87 N89 V90
• Annotation score: 1

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:6yoh, PDBe:6yoh, PDBj:6yoh
• PDBsum: 6yoh
• PubMed: 33314528
• UniProt: Q05097|PA1L_PSEAE PA-I galactophilic lectin (Gene Name=lecA)