Structure of PDB 8ina Chain A Binding Site BS01

Receptor Information
>8ina Chain A (length=431) Species: 4058 (Catharanthus roseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIHILAFPFPAKGHINPLLHLCNRLASKGFKITLITTVSTLKSVKTSKAN
GIDIESIPDGIPQEQNHQIITVMEMNMELYFKQFKASAIENTTKLIQKLK
TKNPLPKVLIYDSSMPWILEVAHEQGLLGASFFTQPCSVSAIYYHMLQGT
IKLMVSLPYLPLLEIKDLPGVQQFEDNSEAVAELLADQFSNIDDVDYVLF
NTFDALEIEVVNWMGSKWPILTVGPTAPINYLFETNTEVCMKWLDQREID
TVIYVSFGSLASLTEEQMEQVSQALIRSNCYFLWVVREEEENKLPKDFKE
TTSKKKGLVINWCPQLDVLAHKSVACFMTHCGWNSTLEALCSGVPMICMP
QWADQTTNAKLIEHVWKIGVGVNKSIVKREEIEDCIRQVIESERGKELKR
NAIKWKELAKEAVSEGGSSCNNIQEFSSSLL
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 chain8ina 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

[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]
PDB8ina Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Resolution1.86 Å
Binding residue
(original residue number in PDB)		G24 N27 S296 V322 W349 C350 Q352 H367 N371 S372 E375
Binding residue
(residue number reindexed from 1)		G13 N16 S259 V285 W312 C313 Q315 H330 N334 S335 E338
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0080043 quercetin 3-O-glucosyltransferase activity
GO:0080044 quercetin 7-O-glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8ina, PDBe:8ina, PDBj:8ina
PDBsum8ina
PubMed
UniProtW8JMV4|UGT9_CATRO UDP glycosyltransferase 9 (Gene Name=UGT9)

[Back to BioLiP]