Structure of PDB 3uyl Chain B Binding Site BS02

Receptor Information

>3uyl Chain B (length=370) Species: 60894 (Saccharopolyspora spinosa)

MRVLVVPLPYPTHLMAMVPLCWALQASGHEVLIAAPPELQATAHGAGLTT
AGIRRFPNPAFGQRDTEAGRQLWEQTASNVAQSSLDQLPEYLRLAEAWRP
SVLLVDVCALIGRVLGGLLDLPVVLHRWGVDPTAGPFSDRAHELLDPVCR
HHGLTGLPTPELILDPCPPSLQASDAPQGAPVQYVPYNGSGAFPAWGAAR
TSARRVCICMGRMVLNATGPAPLLRAVAAATELPGVEAVIAVPPEHRALL
TDLPDNARIAESVPLNLFLRTCELVICAGGSGTAFTATRLGIPQLVLPQY
FDQFDYARNLAAAGAGICLPDEQAQSDHEQFTDSIATVLGDTGFAAAAIK
LSDEITAMPHPAALVRTLEN

Ligand information

• Ligand ID: GLC
• 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-DVKNGEFBSA-N
• SMILES:
  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
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 3uyl Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3uyl Structural Studies of the Spinosyn Rhamnosyltransferase, SpnG.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): G76 Q77 R78 D79 D319
• Binding residue (residue number reindexed from 1): G62 Q63 R64 D65 D305
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.4.1.-

Gene Ontology

Molecular Function

• GO:0008194 UDP-glycosyltransferase activity
• GO:0016740 transferase activity
• GO:0016758 hexosyltransferase activity

Biological Process

• GO:0017000 antibiotic biosynthetic process

External links

• PDB: RCSB:3uyl, PDBe:3uyl, PDBj:3uyl
• PDBsum: 3uyl
• PubMed: 22283226
• UniProt: Q9ALM8