Structure of PDB 6ini Chain A Binding Site BS01

Receptor Information
>6ini Chain A (length=450) Species: 55670 (Stevia rebaudiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRRRIILFPVPFQGHINPILQLANVLYSKGFSITIFHTNFNKPKTSNYPH
FTFRFILDNDPQDERISNLPTHGPLAGMRIPIINEHGADELRRELELLML
ASEEDEEVSCLITDALWYFAQSVADSLNLRRLVLMTSSLFNFHAHVSLPQ
FDELGYLDPDDKTRLEEQASGFPMLKVKDIKSAYSNWQILKEILGKMIKQ
TKASSGVIWNSFKELEESELETVIREIPAPSFLIPLPKHLTASSSSLLDH
DRTVFQWLDQQPPSSVLYVSFGSTSEVDEKDFLEIARGLVDSKQSFLWVV
RPGFVKGSTWVEPLPDGFLGERGRIVKWVPQQEVLAHGAIGAFWTHSGWN
STLESVCEGVPMIFSDFGLDQPLNARYMSDVLKVGVYLENGWERGEIANA
IRRVMVDEEGEYIRQNARVLKQKADVSLMKGGSSYESLESLVSYISSLLE
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain6ini 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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PDB6ini Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G24 N27 G282 S283 V309 W338 V339 Q341 H356 G358 N360 S361 E364
Binding residue
(residue number reindexed from 1)		G14 N17 G272 S273 V299 W328 V329 Q331 H346 G348 N350 S351 E354
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016740 transferase activity
GO:0035251 UDP-glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6ini, PDBe:6ini, PDBj:6ini
PDBsum6ini
PubMed31324778
UniProtQ6VAB4|U76G1_STERE UDP-glycosyltransferase 76G1 (Gene Name=UGT76G1)

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