Structure of PDB 8i0d Chain A Binding Site BS01

Receptor Information
>8i0d Chain A (length=446) Species: 65409 (Scutellaria baicalensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFQSHIGVLAFPFGTHAAPLLTVVQRLATSSPHTLFSFFNSAVSNSTLFG
VLDSYDNIRVYHVWDGTPQFTGSHFEAVGLFLKASPGNFDKVIDEAEVET
GLKISCLITDAFLWFGYDLAEKRGVPWLAFWTSAQCALSAHMYTHEILKA
VGSNTAEEELIQSLIPGLEMAHLSDLPPEIFFDKNPNPLAITINKMVLKL
PKSTAVILNSFEEIDPIITTDLKSKFHHFLNIGPSILSSPTPPPPDDKTG
CLAWLDSQTRPKSVVYISFGTVITPPENELAALSEALETCNYPFLWSLND
RAKKSLPTGFLDRTKELGMIVPWAPQPRVLAHRSVGVFVTHCGWNSILES
ICSGVPLICRPFFGSDHKLNSRMVEDSWKIGVRLEGGVLSKTATVEALGR
VMMSEEGEIIRENVNEMNEKAKIAVEPKGSSFKNFNKLLEIINAPQ
Ligand information
Ligand IDUPG
InChIInChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyHSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[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](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370OC[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](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1=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)O)O)O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
FormulaC15 H24 N2 O17 P2
NameURIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBLCHEMBL375951
DrugBankDB01861
ZINCZINC000008215472
PDB chain8i0d 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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PDB8i0d Structure of Sb3GT1 375S/Q377H muatnt complex with UDP-Glc
Resolution1.43 Å
Binding residue
(original residue number in PDB)		G15 T16 H17 T138 S139 S307 W333 A334 Q336 H351 G353 W354 N355 S356 E359 D376 H377
Binding residue
(residue number reindexed from 1)		G14 T15 H16 T132 S133 S297 W323 A324 Q326 H341 G343 W344 N345 S346 E349 D366 H367
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8i0d, PDBe:8i0d, PDBj:8i0d
PDBsum8i0d
PubMed37863881
UniProtA0A482AQV3

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