Structure of PDB 4lk7 Chain C Binding Site BS03

Receptor Information

>4lk7 Chain C (length=121) Species: 208964 (Pseudomonas aeruginosa PAO1)

AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREH
PDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYND
VPGTYGNNSGSFSVNIGKDQS

Ligand information

• Ligand ID: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 4lk7 Chain C Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4lk7 CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
• Resolution: 1.758 Å
• Binding residue (original residue number in PDB): Y36 H50 Q53 D100 T104 N107
• Binding residue (residue number reindexed from 1): Y36 H50 Q53 D100 T104 N107
• 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:4lk7, PDBe:4lk7, PDBj:4lk7
• PDBsum: 4lk7
• PubMed: 23869965
• UniProt: Q05097|PA1L_PSEAE PA-I galactophilic lectin (Gene Name=lecA)