Structure of PDB 7zhb Chain A Binding Site BS01

Receptor Information
>7zhb Chain A (length=286) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVSKTEHAEINIFSVASGHLYERMLNIMMASVMHHTNHTVKFWFIEQFLS
PSFKDFIPHMAAEYGFKYEMVTYKWPHWLRQQKEKQREIWGYKILFLDVL
FPLSLDKVIFVDADQIVRTDMYDLVEHPLDGAPYGFAPMCDSRVEMEGYR
FWKTGYWANYLKGKPYHISALYVVDLQRFRELAAGDRLRQQYHALSADPN
SLANLDQDLPNHMQFTIPIATLPQEWLWCETWCSDETLKDARTIDLCNNP
MTKEPKLDRARRQVPEWTKYDEEIAELARRVREGTK
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 chain7zhb Chain A 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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PDB7zhb A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein quality control checkpoint
Resolution1.89 Å
Binding residue
(original residue number in PDB)		A1206 S1207 Y1211 Q1276 W1280 D1302 S1359 A1360 D1396 D1435 C1437 N1438 K1446
Binding residue
(residue number reindexed from 1)		A16 S17 Y21 Q86 W90 D112 S169 A170 D206 D245 C247 N248 K256
Annotation score4
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:7zhb, PDBe:7zhb, PDBj:7zhb
PDBsum7zhb
PubMed
UniProtG0SB58

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