Structure of PDB 8sfw Chain A Binding Site BS02

Receptor Information
>8sfw Chain A (length=424) Species: 32264 (Tetranychus urticae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSLKILFTALFGPGHLNACLGIGSLLRKRGHQIYFAHFPRHRATIEKHGF
LFISLLDYAEPEFPIVDMLPDIGIIAKFAFERMHKLTPLELFRHASGKHT
FAGMVNGSKGENYAMMKIVKEYKPDVCLADYLFNMPWMFTVDCPVIPVKS
VNPIELYNGPPALTGCSIHDPPSVREEIEQLARKSELELESELEKLFAHF
NVPLVSYNYAQQLGIYIYPGPLDYKELGSPKENWVRLDSSIRSSNFELPE
KLKDKPGKLIYVSMGSLASAVTELLTMILTPLANSPHRFIVSTGPNGDSI
KLYDNMWGDKFINQVALLPKVDLFITHGGSNSLIEGLTAGKPLIAIPQFG
DQLDNAQRIADLGLGVRLNLHEFSGEKLLKAIEDVLNDEKINANVARVSE
ELKKSDSKDKVISLIEKLARDKKL
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 chain8sfw 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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PDB8sfw Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with quercetin
Resolution2.75 Å
Binding residue
(original residue number in PDB)		I82 T110 F111 M114 L280
Binding residue
(residue number reindexed from 1)		I72 T100 F101 M104 L267
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:8sfw, PDBe:8sfw, PDBj:8sfw
PDBsum8sfw
PubMed
UniProtT1KUK4

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