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Receptor Information

>6jen Chain C (length=436) Species: 3527 (Phytolacca americana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MEMEAPLIVIVPSPGMGHLIPLVEFAKVLVSRFHFSVSLLLPTTAQPTKA
QTTLLNSLPSSVSHNFLPTVDPAHLPDGVAHEVTISLTHAHSLSSIRAAL
GSLAQQAQVVALITDLFGTGLYTVARDLGIPPYLYFTSTAMCLLFLFHLP
KLDETVSCEYRDMPEPLVLPGCVPLHGKDFVDPAQDRQDQAYHVLLDHVK
RYVLAEGIFVNTFVDLEPGAIKTLQTEDPNVPPVYPVGPIIQSSDCLKWL
DRQPSGSVLFVSFGSGGTLSNEQLNELAIGLEISGHRFLWVVRFGFLPTG
FVDRIKDRGLLVPSWAPQIKVLSHGSTGGFLTHCGWNSTLESIVNGVPLI
VWPLYAEQRMNAVMLNQGLKVALRPNASQRGLVEADEIARVVKELMDGDE
GKKARYKMRELSDSAKRVTSENGESTKLLSEVASKW

Ligand ID

U2F

InChI

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

InChIKey

NGTCPFGWXMBZEP-NQQHDEILSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
OpenEye OEToolkits 1.5.0	C1=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 3.341	OC[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 1.5.0	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
CACTVS 3.341	OC[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

Formula

C15 H23 F N2 O16 P2

Name

URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE

PDB chain

6jen Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6jen An Ambidextrous Polyphenol GlycosyltransferasePaGT2 fromPhytolacca americana.
Resolution	2.65 Å
Binding residue (original residue number in PDB)	G17 T137 W343 A344 Q346 H361 G363 W364 N365 S366 E369 Y383 E385 Q386
Binding residue (residue number reindexed from 1)	G17 T137 W315 A316 Q318 H333 G335 W336 N337 S338 E341 Y355 E357 Q358
Annotation score	1

Enzyme Commision number

2.4.1.-

	Molecular Function
GO:0008194	UDP-glycosyltransferase activity
GO:0016757	glycosyltransferase activity

PDB	RCSB:6jen, PDBe:6jen, PDBj:6jen
PDBsum	6jen
PubMed	32525309
UniProt	B5MGN7

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Structure of PDB 6jen Chain C Binding Site BS02