Structure of PDB 5h18 Chain A Binding Site BS01

Receptor Information
>5h18 Chain A (length=272) Species: 28565 (Thermomyces dupontii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADINIFSVASGHLYERMLNIMMVSVMKHTKHSVKFWFIEQFLSPSFKKFL
PHLAKEYGFSYEMVTYKWPHWLRGQREKQREIWGYKILFLDVLFPLSLDK
VIFVDADQIVRTDMYDLVQLDLEGAPYGFTPMCDSRKEMEGFRFWKQGYW
KSHLRGRPYHISALYVVDLNRFRALAAGDRLRGQYHTLSAANLDQDLPNN
MQAMIPIKSLPQEWLWCETWCADEDLKTARTIDLCNNPLTKEPKLDRARR
QVPEWTEYDNEIAELAVRVRAA
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 chain5h18 Chain A Residue 2000 [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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PDB5h18 Visualisation of a flexible modular structure of the ER folding-sensor enzyme UGGT.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		A1198 S1199 Y1203 Q1268 W1272 D1294 S1351 A1352 N1386 D1388 D1427 C1429 N1430 K1438
Binding residue
(residue number reindexed from 1)		A9 S10 Y14 Q79 W83 D105 S162 A163 N192 D194 D233 C235 N236 K244
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003980 UDP-glucose:glycoprotein glucosyltransferase activity
GO:0046872 metal ion binding
GO:0051082 unfolded protein binding
Biological Process
GO:0006486 protein glycosylation
GO:0018279 protein N-linked glycosylation via asparagine
GO:0043934 sporulation
GO:0097359 UDP-glucosylation
Cellular Component
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5h18, PDBe:5h18, PDBj:5h18
PDBsum5h18
PubMed28939828
UniProtA0A2D0TCJ6

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