Structure of PDB 6ij9 Chain D Binding Site BS01

Receptor Information
>6ij9 Chain D (length=388) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKPHVLVIPFPQSGHMVPHLDLTHQILLRGATVTVLVTPKNSSYLDALRS
LHSPEHFKTLILPFPSHPCIPSGVESLQQLPLEAIVHMFDALSRLHDPLV
DFLSRQPPSDLPDAILGSSFLSPWINKVADAFSIKSISFLPINAHSISVM
WAQEDRSFFNDLETATTESYGLVINSFYDLEPEFVETVKTRFLNHHRIWT
VGPLLPFSIPPAKVSAWLDSEDNSVVYVGFGSQIRLTAEQTAALAAALEK
SSVRFIWAVRDAAKKRVKIRGWAPQTMILEHRAVGSYLTHLGWGSVLEGM
VGGVMLLAWPMQADHFFNTTLIVDKLRAAVRVGENRDSVPDSDKLARILA
ELPERVTLMKLREKAMEAIKEGGSSYKNLDELVAEMCL
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 chain6ij9 Chain D Residue 900 [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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PDB6ij9 Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with UDP
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Q18 G20 G249 S250 W314 A315 Q317 H332 G336 S337 E340
Binding residue
(residue number reindexed from 1)		Q12 G14 G231 S232 W272 A273 Q275 H290 G294 S295 E298
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0051555 flavonol biosynthetic process
Cellular Component
GO:0005576 extracellular region
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ij9, PDBe:6ij9, PDBj:6ij9
PDBsum6ij9
PubMed
UniProtQ9LNE6|U89C1_ARATH Flavonol 7-O-rhamnosyltransferase (Gene Name=UGT89C1)

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