Structure of PDB 6ijd Chain B Binding Site BS01

Receptor Information
>6ijd Chain B (length=402) 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
VGPLLPFKQSSIPPAKVSAWLDSCPEDNSVVYVGFGSQIRLTAEQTAALA
AALEKSSVRFIWAVAGFEERVKEKGLVIRGWAPQTMILEHRAVGSYLTHL
GWGSVLEGMVGGVMLLAWPMQADHFFNTTLIVDKLRAAVRVGENRDSVPD
SDKLARILAESAREDLPERVTLMKLREKAMEAIKEGGSSYKNLDELVAEM
CL
Ligand information
Ligand IDQUE
InChIInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
ACDLabs 10.04O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O
FormulaC15 H10 O7
Name3,5,7,3',4'-PENTAHYDROXYFLAVONE;
QUERCETIN
ChEMBLCHEMBL50
DrugBankDB04216
ZINCZINC000003869685
PDB chain6ijd Chain B Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ijd Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Resolution3.206 Å
Binding residue
(original residue number in PDB)		H21 E89 M156 A355
Binding residue
(residue number reindexed from 1)		H15 E83 M150 A322
Annotation score2
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:6ijd, PDBe:6ijd, PDBj:6ijd
PDBsum6ijd
PubMed30893500
UniProtQ9LNE6|U89C1_ARATH Flavonol 7-O-rhamnosyltransferase (Gene Name=UGT89C1)

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