Structure of PDB 8w53 Chain B Binding Site BS01

Receptor Information
>8w53 Chain B (length=479) Species: 112863 (Lycium barbarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKNIELIFIPCPGIGHLVSTVEMAKLLITREKHMSITVLIIQLPNDNKLS
SYIKSVSNFSSNLKFIQLPQDESVLQLLKGNIFSSFIPGHKPAVRDAVAE
ILKSESDITLAGIVIDLFCTSMIDVANELELPTYVFYTSNAASLGLQFHM
QSLSDEFNIDITNYKNNPEAELSISTYLNPFPAKCLPSIALDKEGGGSTM
YLDLTRRIRETKGIMINTFVEIEPHAINSLLRDKNIPPVYPVGPVLNLNN
VESDKLSESDKNIMKWLDDQSPASVVFLCFGSGGSFKKDQVKEIAYALEN
SGCQFLWSLRQPPEKDARFPSDYENFEEVLPEGFLQRTQRIGKVMGWAPQ
LAILSHKAVGGFVSHCGWNSTLESIYFGVPMATWPMYAEQQGNAFQLVKD
LGMAVEIKMDYRKDPKVMGQEIIVKAEKIEKAIRELMDPENEIWMKVKNM
KEKGRAATMEGGSSYNCIGGFIQSIMENT
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain8w53 Chain B 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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PDB8w53 Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines
Resolution2.42816 Å
Binding residue
(original residue number in PDB)		C282 G284 S285 W350 A351 Q353 H368 G370 N372 S373 E376 Y390
Binding residue
(residue number reindexed from 1)		C279 G281 S282 W347 A348 Q350 H365 G367 N369 S370 E373 Y387
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8w53, PDBe:8w53, PDBj:8w53
PDBsum8w53
PubMed38816433
UniProtB6EWZ1

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