Structure of PDB 8i90 Chain B Binding Site BS01

Receptor Information
>8i90 Chain B (length=438) Species: 79376 (Nemophila menziesii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHVFLVSAPGQGNVTPMLRLAKSLASKGLLVTFSTPESYGKEMRKTNPIL
IGEGSIRFEFLDDEWDEDAYATHLERVGKQNLPRMFKKHEEEGRPISCII
NNPFIPWVPEVAESLGIPSALLWVQSCASFSSYYHFFNDLVSFPTESNLK
KDVCLPSMPMLKYDEVPLLLYPIVPLPIISLKNAMLRQQKNLSKTFCVLV
DTFQQLEDELIHYLSKLCPIRPIGPLFKISDTADDCIEWLDSKSPSSVVY
ISFGSIVHLKQEQITEIAYALMNINISFLWVMKPPQKDSYDKQHVLPQGF
LEKVGEKGKVVKWSPQEQVLSHQSLACFVTHCGWNSSMEALANGIRVVTL
PQWGDQVTNAKFLVDVFGVGVRLSRGDLEDRIIPREEIELRLLEVTSGEK
ATEMKHNALRWKKAAEEAVAKDGSSSKNLQEFVDELNN
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 chain8i90 Chain B Residue 500 [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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PDB8i90 Structural insight into ligand recognition of flavone glucosyltransferases in Nemophila menziesii
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q19 G20 V146 Q147 W346 S347 Q349 H364 W367 N368 S369 E372 W386 D388 Q389
Binding residue
(residue number reindexed from 1)		Q11 G12 V124 Q125 W313 S314 Q316 H331 W334 N335 S336 E339 W353 D355 Q356
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8i90, PDBe:8i90, PDBj:8i90
PDBsum8i90
PubMed38346547
UniProtA0A292GEP7

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