2024-04-13_00000056|medium|8J2S

Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin, UDP-2F Glucose and Retinol; X-ray diffraction 3.26Å

Protein #1 482 residues (95% resolved)

Raw Sequence ...

GPLGSMDSSQLHVAIVSSPGMGHLIPVLVLGNRLATHHNIKITILAITTTSSSAETEFLKKTTLTNEEKTIEIIPVPSVDISHLINSSTKIFTQLRLLVREALPKIHSTIASMTHRPDALIVDIFCTQILPIAEEFNISKYTYHPTTAWTLALAIYCQVFDKEIEGEYVELKEPLKIPGCKALRPDDVVDPLLDRSDQQYEEYVKLGKEYTDFDGILINTWEDLEPETINALRYNEKLRLLLKVPVFPIGPLRRKVETTLNDEVIQWLDKQNNESVLFVSFGSGGTLSTKQMTELAWGLELSQQKFVWVVRPPSDGDADSAYLNSAGKDTRDMSEYLPEGFLTRTKDMGLVVPMWANQVEILSHSSVGGFLTHCGWNSTVESLTNGVPMIAWPLHAEQKMNAAMLTEELGVAIRPAVLPTKKLVKREEIQGMVRILMQTKEGKRIKEKAKKLKKSAENALSDGGSSYNSICELVKDIRSREL

Canonical Sequence ...

Non polymer #2 T83

InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3

SMILES: COc1cc2c(cc1O)OC(=O)C=C2

COc1cc2c(cc1O)OC(=O)C=C2

Non polymer #3 U2F

InChI=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

InChI=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

SMILES: C1=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

C1=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

Reference