Structure of PDB 9j9k Chain B Binding Site BS02

Receptor Information
>9j9k Chain B (length=463) Species: 4100 (Nicotiana benthamiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQLHVAIVSSPGMGHLIPVLVLGNRLATHHNIKITILAITTTTTLTNEEK
TIEIIPVPSVDISHLINSSTKIFTQLRLLVREALPKIHSTIASMTHRPDA
LIVDIFCTQILPIAEEFNISKYTYHPTTAWTLALAIYCQVFDKEIEGEYV
ELKEPLKIPGCKALRPDDVVDPLLDRSDQQYEEYVKLGKEYTDFDGILIN
TWEDLEPETINALRYNEKLRLLLKVPVFPIGPLRRKVETTLNDEVIQWLD
KQNNESVLFVSFGSGGTLSTKQMTELAWGLELSQQKFVWVVRPPSDGDAD
SAYLNSAGKDTRDMSEYLPEGFLTRTKDMGLVVPMWANQVEILSHSSVGG
FLTHCGWNSTVESLTNGVPMIAWPLHAEQKMNAAMLTEELGVAIRPAVLP
TKKLVKREEIQGMVRILMQTKEGKRIKEKAKKLKKSAENALSDGGSSYNS
ICELVKDIRSREL
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 chain9j9k Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB9j9k Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin and UDP2F glucose
Resolution3.15 Å
Binding residue
(original residue number in PDB)		G17 R249 S278 W350 A351 Q353 H368 G370 N372 S373 E376 H390 A391 E392
Binding residue
(residue number reindexed from 1)		G14 R235 S264 W336 A337 Q339 H354 G356 N358 S359 E362 H376 A377 E378
Annotation score1
External links