Structure of PDB 7zlu Chain B Binding Site BS01

Receptor Information
>7zlu Chain B (length=278) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EHAEINIFSVASGHLYERMLNIMMASVMHHTNHTVKFWFIEQFLSPSFKD
FIPHMAAEYGFKYEMVTYKWPHWLRQQKEKQREIWGYKILFLDVLFPLSL
DKVIFVDADQIVRTDMYDLVEHPLDGAPYGFAPMCDSRVEMEGYRFWKTG
YWANYLKGKPYHISALYVVDLQRFRELAAGDRLRQQYHALSADPNSLANL
DQDLPNHMQFTIPIATLPQEWLWCETWCSDETLKDARTIDLCNNPMTKEP
KLDRARRQVPEWTKYDEEIAELARRVRE
Ligand information
Ligand IDU2F
InChIInChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1
InChIKeyNGTCPFGWXMBZEP-NQQHDEILSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)F)O)O
CACTVS 3.341OC[C@H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O
CACTVS 3.341OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O
FormulaC15 H23 F N2 O16 P2
NameURIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
ChEMBLCHEMBL593830
DrugBankDB03488
ZINCZINC000016051573
PDB chain7zlu Chain B Residue 1501 [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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PDB7zlu A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein quality control checkpoint
Resolution2.049 Å
Binding residue
(original residue number in PDB)		S1207 Y1211 Q1276 W1280 D1302 A1360 N1394 D1396 D1435 C1437 N1438 K1446
Binding residue
(residue number reindexed from 1)		S12 Y16 Q81 W85 D107 A165 N199 D201 D240 C242 N243 K251
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003980 UDP-glucose:glycoprotein glucosyltransferase activity
Biological Process
GO:0006486 protein glycosylation

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Molecular Function
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Biological Process
External links
PDB RCSB:7zlu, PDBe:7zlu, PDBj:7zlu
PDBsum7zlu
PubMed37822503
UniProtG0SB58

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