Structure of PDB 8wrk Chain A Binding Site BS02

Receptor Information
>8wrk Chain A (length=434) Species: 4058 (Catharanthus roseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIHILAFPFPAKGHINPLLHLCNRLASKGFKITLITTVSTLKSVKTSKAN
GIDIESIPDGIPQEQNHQIITVMEMNMELYFKQFKASAIENTTKLIQKLK
TKNPLPKVLIYDSSMPWILEVAHEQGLLGASFFTQPCSVSAIYYHMLQGT
IKLPMVSLPYLPLLEIKDLPGVQQFEDNSEAVAELLADQFSNIDDVDYVL
FNTFDALEIEVVNWMGSKWPILTVGPTAPTSINYLFETNTEVCMKWLDQR
EIDTVIYVSFGSLASLTEEQMEQVSQALIRSNCYFLWVVREEEENKLPKD
FKETTSKKKGLVINWCPQLDVLAHKSVACFMTHCGWNSTLEALCSGVPMI
CMPQWADQTTNAKLIEHVWKIGVGVNKSIVKREEIEDCIRQVIESERGKE
LKRNAIKWKELAKEAVSEGGSSCNNIQEFSSSLL
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 chain8wrk Chain A Residue 502 [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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PDB8wrk Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Resolution2.03 Å
Binding residue
(original residue number in PDB)		N18 S287 V313 W340 C341 Q343 H358 G360 N362 S363 E366
Binding residue
(residue number reindexed from 1)		N16 S262 V288 W315 C316 Q318 H333 G335 N337 S338 E341
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:8wrk, PDBe:8wrk, PDBj:8wrk
PDBsum8wrk
PubMed
UniProtW8JMV4|UGT9_CATRO UDP glycosyltransferase 9 (Gene Name=UGT9)

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