Structure of PDB 2c1z Chain A Binding Site BS02

Receptor Information
>2c1z Chain A (length=439) Species: 29760 (Vitis vinifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNPHVAVLAFPFSTHAAPLLAVVRRLAAAAPHAVFSFFSTSQSNASIFHD
HTMQCNIKSYDISDGVPEGYVFAGRPQEDIELFTRAAPESFRQGMVMAVA
ETGRPVSCLVADAFIWFAADMAAEMGVAWLPFWTAGPNSLSTHVYIDEIR
EKIGVSGIQGREDELLNFIPGMSKVRFRDLQEGIVFGNLNSLFSRMLHRM
GQVLPKATAVFINSFEELDDSLTNDLKSKLKTYLNIGPFNLITGCLQWLK
ERKPTSVVYISFGTVTTPPPAEVVALSEALEASRVPFIWSLRDKARVHLP
EGFLEKTRGYGMVVPWAPQAEVLAHEAVGAFVTHCGWNSLWESVAGGVPL
ICRPFFGDQRLNGRMVEDVLEIGVRIEGGVFTKSGLMSCFDQILSQEKGK
KLRENLRALRETADRAVGPKGSSTENFITLVDLVSKPKD
Ligand information
Ligand IDU2F
InChIInChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1
InChIKeyNGTCPFGWXMBZEP-NQQHDEILSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)F)O)O
CACTVS 3.341OC[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](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1=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)F)O)O
CACTVS 3.341OC[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](F)[CH](O)[CH]1O
FormulaC15 H23 F N2 O16 P2
NameURIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
ChEMBLCHEMBL593830
DrugBankDB03488
ZINCZINC000016051573
PDB chain2c1z Chain A Residue 1457 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2c1z Structure of a Flavonoid Glucosyltransferase Reveals the Basis for Plant Natural Product Modification.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T19 T280 S306 W332 A333 Q335 H350 G352 W353 N354 S355 E358 F372 D374 Q375
Binding residue
(residue number reindexed from 1)		T14 T264 S290 W316 A317 Q319 H334 G336 W337 N338 S339 E342 F356 D358 Q359
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.115: anthocyanidin 3-O-glucosyltransferase.
2.4.1.91: flavonol 3-O-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0047213 anthocyanidin 3-O-glucosyltransferase activity
GO:0047893 flavonol 3-O-glucosyltransferase activity
Biological Process
GO:0009718 anthocyanin-containing compound biosynthetic process
GO:0033303 quercetin O-glucoside biosynthetic process
GO:0033485 cyanidin 3-O-glucoside biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2c1z, PDBe:2c1z, PDBj:2c1z
PDBsum2c1z
PubMed16482224
UniProtP51094|UFOG_VITVI Anthocyanidin 3-O-glucosyltransferase UFGT (Gene Name=UFGT)

[Back to BioLiP]