Structure of PDB 5ofx Chain H Binding Site BS01

Receptor Information

>5ofx Chain H (length=121) Species: 243265 (Photorhabdus laumondii subsp. laumondii TTO1)

SDWSGSVPANAENGKSTGLILKQGDTISVVAHGWVKYGRDNVEWAAPDGP
VPNNPQPSSIATLVAKIANKKFAIGNGVLHKTVPVDGELILLFNDVPGTF
GDNSGEFQVEVIIESRYSPLK

Ligand information

• Ligand ID: GLA
• 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-PHYPRBDBSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-galactopyranose;
  alpha-D-galactose;
  D-galactose;
  galactose;
  ALPHA D-GALACTOSE
• ChEMBL: CHEMBL1233058
• ZINC: ZINC000000901155
• PDB chain: 5ofx Chain O Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ofx Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): Y38 E44 Q57 D96 T100 D103
• Binding residue (residue number reindexed from 1): Y37 E43 Q56 D95 T99 D102
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding
• GO:0046872 metal ion binding

External links

• PDB: RCSB:5ofx, PDBe:5ofx, PDBj:5ofx
• PDBsum: 5ofx
• PubMed: 28972138
• UniProt: Q7N561|PLLA_PHOLL Lectin A (Gene Name=pllA)