Structure of PDB 8wp5 Chain A Binding Site BS01

Receptor Information
>8wp5 Chain A (length=479) Species: 112863 (Lycium barbarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTKAELVFIPSPGAGHLISAIEIAKLILNRDERLCISVLIMKLPMDFGVQ
SYVASLSSSPRLQFVDITLDEKTVAGLLKNKESFFTDFIQGHKPKVKDFI
HNTSFSKSGGFSRLAGFVLDMFCTSMIDVASEFSVPSYIFLTSNAAFLAL
CYHFESLKKEHHIDTSKYKDSDEELTIPGFKNPYPGKFLPRLTTDQTTAT
TLFFDSVTRFKETKGIMVNTFAELEPFALQSLLVPKIYPVGPVVNFKEGG
NSESETESIIKWLDDQPESSVVFLCFGSMGSFDAEQIEEIAVALECSGHR
FLWSLRRPPPKGKMELPSNYEDFQEVLPEGFIERTNGVGKVIGWAPQVAV
LSHPAVGGFVSHCGWNSVLESLCFGVPIGAWPQYAEQQMNAFELVKQLGL
AVEIRMDYFKDFEGHGPVEIVTAKEIASGIRQLMADGEENEIRKRAKEMK
EKSSAAMKEGGSSYASLGLLIEDVISNIS
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 chain8wp5 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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PDB8wp5 Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines.
Resolution2.57006 Å
Binding residue
(original residue number in PDB)		C280 G282 S283 W349 A350 Q352 H367 G369 N371 E375
Binding residue
(residue number reindexed from 1)		C275 G277 S278 W344 A345 Q347 H362 G364 N366 E370
Annotation score4
External links