Structure of PDB 8sfy Chain A Binding Site BS01

Receptor Information
>8sfy Chain A (length=422) Species: 32264 (Tetranychus urticae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSLKILFTALFGPGHLNACLGIGSLLRKRGHQIYFAHFPRHRATIEKHGF
LFISLLDYAEPEFPIVDMLPDIGIIAKFAFERMHKLTPLELFRHASGKHT
FAGMVNGSKGENYAMMKIVKEYKPDVCLADYLFNMPWMFTVDCPVIPVKS
VNPIELYNGPPALTGCSIHDPPSVREEIEQLARKSELELESELEKLFAHF
NVPLVSYNYAQQLGIYIYPGPLDYKELGSPKENWVRLDSSISNFELPEKL
KDKPGKLIYVSMGSLASAVTELLTMILTPLANSPHRFIVSTGPNGDSIKL
YDNMWGDKFINQVALLPKVDLFITHGGSNSLIEGLTAGKPLIAIPQFGDQ
LDNAQRIADLGLGVRLNLHEFSGEKLLKAIEDVLNDEKINANVARVSEEL
KKSDSKDKVISLIEKLARDKKL
Ligand information
Ligand IDUPG
InChIInChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyHSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
FormulaC15 H24 N2 O17 P2
NameURIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBLCHEMBL375951
DrugBankDB01861
ZINCZINC000008215472
PDB chain8sfy Chain A Residue 501 [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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PDB8sfy Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with UDP-glucose
Resolution2.35 Å
Binding residue
(original residue number in PDB)		P23 G24 S160 S305 F324 I325 Q327 H340 G342 S343 N344 S345 E348 D364 Q365
Binding residue
(residue number reindexed from 1)		P13 G14 S150 S290 F309 I310 Q312 H325 G327 S328 N329 S330 E333 D349 Q350
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8sfy, PDBe:8sfy, PDBj:8sfy
PDBsum8sfy
PubMed
UniProtT1KUK4

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