Structure of PDB 4gk9 Chain A Binding Site BS01

Receptor Information

>4gk9 Chain A (length=279) Species: 342113 (Burkholderia oklahomensis)

SVDMTKTSKGFNNLQHVQNQWGGSSAPWHEGGMWVLGCRSGQNVVALNIK
SGDGGRTLTGTMTYVGEGPIGFRATLTQSNTYAVENQWGGSSAPWHPGGT
WVIGCRVNQQVVALDIESGDQGATLAGTMTYAGEGPIGFKSQQADGGVYA
VENQWGGSSAPWHNGGVWVIGARDQAVVAVSIGSTDSGKTLNGNMTYAGE
GPIGFKGNSVAGNNYAVENQWGGTSAPWHPGGIWLLGCRSGQNVVELYIT
SGDNGNTFHGSMTYSGEGPIGFRAMALPQ

Ligand information

• Ligand ID: BMA
• 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-RWOPYEJCSA-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
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 4gk9 Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gk9 Burkholderia oklahomensis agglutinin is a canonical two-domain OAA-family lectin: structures, carbohydrate binding and anti-HIV activity.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): W152 R236 E264 I267
• Binding residue (residue number reindexed from 1): W155 R239 E267 I270
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:4gk9, PDBe:4gk9, PDBj:4gk9
• PDBsum: 4gk9
• PubMed: 23480609
• UniProt: R4GRU1