Structure of PDB 3uyl Chain A Binding Site BS01

Receptor Information
>3uyl Chain A (length=372) Species: 60894 (Saccharopolyspora spinosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMRVLVVPLPYPTHLMAMVPLCWALQASGHEVLIAAPPELQATAHGAGLT
TAGIRRFPNPAFGQRDTEAGRQLWEQTASNVAQSSLDQLPEYLRLAEAWR
PSVLLVDVCALIGRVLGGLLDLPVVLHRWGVDPTAGPFSDRAHELLDPVC
RHHGLTGLPTPELILDPCPPSLQASDAPQGAPVQYVPYNGSGAFPAWGAA
RTSARRVCICMGRMVLNATGPAPLLRAVAAATELPGVEAVIAVPPEHRAL
LTDLPDNARIAESVPLNLFLRTCELVICAGGSGTAFTATRLGIPQLVLPQ
YFDQFDYARNLAAAGAGICLPDEQAQSDHEQFTDSIATVLGDTGFAAAAI
KLSDEITAMPHPAALVRTLENT
Ligand information
Ligand IDTYD
InChIInChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyUJLXYODCHAELLY-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
FormulaC10 H16 N2 O11 P2
NameTHYMIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL259724
DrugBankDB03103
ZINCZINC000008215882
PDB chain3uyl Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3uyl Structural Studies of the Spinosyn Rhamnosyltransferase, SpnG.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		T12 N202 G225 V228 A255 P257 S276 V277 P278 L279 G294 G296 T297
Binding residue
(residue number reindexed from 1)		T13 N189 G212 V215 A242 P244 S263 V264 P265 L266 G281 G283 T284
Annotation score4
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3uyl, PDBe:3uyl, PDBj:3uyl
PDBsum3uyl
PubMed22283226
UniProtQ9ALM8

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