Structure of PDB 8sfu Chain A Binding Site BS02

Receptor Information

>8sfu Chain A (length=419) Species: 32264 (Tetranychus urticae)

KSLKILFTALFGPGHLNACLGIGSLLRKRGHQIYFAHFPRHRATIEKHGF
LFISLLDYAEPEFPIVDMLPDIGIIAKFAFERMHKLTPLELFRHASGKHT
FAGMVNGSKGENYAMMKIVKEYKPDVCLADYLFNMPWMFTVDCPVIPVKS
VNPIELYNGPPALTGCSIHDPPSVREEIEQLARKSELELESELEKLFAHF
NVPLVSYNYAQQLGIYIYPGPLDYKELGSPKENWVRLDSNFELPEKLKDK
PGKLIYVSMGSLASAVTELLTMILTPLANSPHRFIVSTGPNGDSIKLYDN
MWGDKFINQVALLPKVDLFITHGGSNSLIEGLTAGKPLIAIPQFGDQLDN
AQRIADLGLGVRLNLHEFSGEKLLKAIEDVLNDEKINANVARVSEELKKS
DSKDKVISLIEKLARDKKL

Ligand information

• Ligand ID: ZWN
• InChI: InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
• InChIKey: DFPMSGMNTNDNHN-ZPHOTFPESA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC1C(C(C(C(O1)OC2C(C(C(OC2Oc3cc(c4c(c3)OC(CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O
  CACTVS 3.385: C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2Oc3cc(O)c4C(=O)C[CH](Oc4c3)c5ccc(O)cc5)[CH](O)[CH](O)[CH]1O
  CACTVS 3.385: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O
  ACDLabs 12.01: Oc1ccc(cc1)C1CC(=O)c2c(O)cc(cc2O1)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O
  OpenEye OEToolkits 2.0.7: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O
• Formula: C27 H32 O14
• Name: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside;
  Naringin
• ChEMBL: CHEMBL451532
• DrugBank: DB16859
• ZINC: ZINC000008143604
• PDB chain: 8sfu Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8sfu Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with naringin
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): I85 A86 T110 F111 G113 M114 A281 F362
• Binding residue (residue number reindexed from 1): I75 A76 T100 F101 G103 M104 A263 F344
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008194 UDP-glycosyltransferase activity
• GO:0016757 glycosyltransferase activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:8sfu, PDBe:8sfu, PDBj:8sfu
• PDBsum: 8sfu
• UniProt: T1KUK4