Structure of PDB 7vej Chain B Binding Site BS02

Receptor Information
>7vej Chain B (length=444) Species: 3527 (Phytolacca americana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLHVVFFPIMAHGHMIPTLDIARLFAARNVRATIITTPLNAHTFTKAITI
HLELFKFPAQDVGLPEGCENLEQALGSSLIEKFFKGVGLLREQLEAYLEK
TRPNCLVADMFFPWATDSAAKFNIPRLVFHGTSFFSLCALEVVRLYEPHK
NVSSDEELFSLPLFPHDIKMMRLQLPEDVWKHEKAEGKTRLKLIKESELK
SYGVIVNSFYELEPNYAEFFRKELGRRAWNIGPVSLCNREHECLKWLNSK
KKNSVIYICFGSTAHQIAPQLYEIAMALEASGQEFIWVVDSWLPRGFEQR
VEGKGLIIRGWAPQVLILEHEAIGAFVTHCGWNSTLEGITAGVPMVTWPI
FAEQFYNEKLVNQILKIGVPVGANKWSRETSIEDVIKKDAIEKALREIMV
GDEAEERRSRAKKLKEMAWKAVEEGGSSYSDLSALIEELRGYHA
Ligand information
Ligand IDU2F
InChIInChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1
InChIKeyNGTCPFGWXMBZEP-NQQHDEILSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)F)O)O
CACTVS 3.341OC[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](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1=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)F)O)O
CACTVS 3.341OC[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](F)[CH](O)[CH]1O
FormulaC15 H23 F N2 O16 P2
NameURIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
ChEMBLCHEMBL593830
DrugBankDB03488
ZINCZINC000016051573
PDB chain7vej Chain B Residue 604 [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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PDB7vej Structural basis for substrate recognition in the Phytolacca americana glycosyltransferase PaGT3.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		G19 H20 G146 S292 T293 W352 A353 Q355 H370 G372 W373 N374 S375 E378 E394 Q395
Binding residue
(residue number reindexed from 1)		G13 H14 G131 S262 T263 W311 A312 Q314 H329 G331 W332 N333 S334 E337 E353 Q354
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0035251 UDP-glucosyltransferase activity
GO:0046527 glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7vej, PDBe:7vej, PDBj:7vej
PDBsum7vej
PubMed35234151
UniProtB5MGN9

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