Structure of PDB 7q3s Chain A Binding Site BS01

Receptor Information
>7q3s Chain A (length=453) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQTVILYPSPGVGHIVPMVQLAKVFLRHGCDVTMVIAEPAASSPDFRIVD
LDRVAASNPAITFHVLPPVPYADLAVPGKHHFLLTLQVLRRYNGELERFL
RSVPRERLHSLVVGMFCTDAVDVGAKLGVPVYTFFASAAATLAVVAQLPA
LLSGRRAGLKELGDTPLQFLGVPPFPASHLVRELLEHPDDDELCKTMVDV
WKRCTDGSGVLVNTFESLESPAVQALRDPRCVPGRVLPPVYCVGPLIGER
AAETRHECLAWLDEQPENSVVFLCFGSRCAHSAEQLRGIAVGLERSGQRF
LWSVRTPAALFPEGFLQRTKDRGLVVRSWAPQVEVLRHPSTGAFMTHCGW
NSTLEAITAGVPMLCWPFYAEQLMNKVFVTEGMGVGVEMEGYTTGFIKSE
EVEAKVRLVMESEEGRHLRGRAVALKNEAQAALRDDGPSETSFARFLFDA
KNL
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 chain7q3s 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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PDB7q3s Family 1 Glycosyltransferase UGT706F8 from Zea mays Selectively Catalyzes the Synthesis of Silibinin 7- O -beta-d-Glucoside.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		C290 G292 S293 W355 A356 Q358 H373 G375 N377 S378 E381
Binding residue
(residue number reindexed from 1)		C274 G276 S277 W329 A330 Q332 H347 G349 N351 S352 E355
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0035251 UDP-glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7q3s, PDBe:7q3s, PDBj:7q3s
PDBsum7q3s
PubMed35493695
UniProtB4FG90

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