Structure of PDB 6fsn Chain A Binding Site BS02

Receptor Information
>6fsn Chain A (length=276) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEINIFSVASGHLYERMLNIMMASVMHHTNHTVKFWFIEQFLSPSFKDFI
PHMAAEYGFKYEMVTYKWPHWLRQQKEKQREIWGYKILFLDVLFPLSLDK
VIFVDADQIVRTDMYDLVEHPLDGAPYGFAPMCDSRVEMEGYRFWKTGYW
ANYLKGKPYHISALYVVDLQRFRELAAGDRLRQQYHALSADPNSLANLDQ
DLPNHMQFTIPIATLPQEWLWCETWCSDETLKDARTIDLCNNPMTKEPKL
DRARRQVPEWTKYDEEIAELARRVRE
Ligand information
Ligand IDUPG
InChIInChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyHSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[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](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370OC[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](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1=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)O)O)O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
FormulaC15 H24 N2 O17 P2
NameURIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBLCHEMBL375951
DrugBankDB01861
ZINCZINC000008215472
PDB chain6fsn Chain A Residue 1503 [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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PDB6fsn Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.
Resolution1.19 Å
Binding residue
(original residue number in PDB)		A1206 S1207 Y1211 Q1276 W1280 K1283 D1302 A1360 D1396 D1435 C1437 N1438 K1446
Binding residue
(residue number reindexed from 1)		A9 S10 Y14 Q79 W83 K86 D105 A163 D199 D238 C240 N241 K249
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003980 UDP-glucose:glycoprotein glucosyltransferase activity
Biological Process
GO:0006486 protein glycosylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6fsn, PDBe:6fsn, PDBj:6fsn
PDBsum6fsn
PubMed
UniProtG0SB58

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