Structure of PDB 5o5e Chain A Binding Site BS01

Receptor Information
>5o5e Chain A (length=381) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PMPLLINLIVSLLGFVATVTLIPAFRGHFIAARLCGQDLNKTSRQQIPES
QGVISGAVFLIILFCFIPFPFLPHHEFVALIGALLAICCMIFLGFADDVL
NLRWRHKLLLPTAASLPLLMVYFTNFGNTTIVVPKPFRPILLDLGILYYV
YMGLLAVFCTNAINILAGINGLEAGQSLVISASIIVFNLVELEGDCRDDH
VFSLYFMIPFFFTTLGLLYHNWYPSRVFVGDTFCYFAGMTFAGVGILGHF
SKTMLLFFMPQVFNFLYSLPQLLHIIPCPRHRIPRLNIKTGKLEMSYSKF
KTKSLSFLGTFILKVAESLQLVTVHQSETEDGEFTECNNMTLINLLLKVL
GPIHERNLTLLLLLLQILGSAITFSIRYQLV
Ligand information
Ligand IDP6L
InChIInChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h18,20,22,24,37-38,41-42H,3-17,19,21,23,25-36H2,1-2H3,(H,45,46)/b20-18+,24-22-/t37-,38+/m1/s1
InChIKeyWLVNRDXLPAAELE-GDRYEXQRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCC=CCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC=CCCCCCCCCC
CACTVS 3.341CCCCCCCCC/C=C/CCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)OC(=O)CCCC\C=C/CCCCCCCCC
ACDLabs 10.04O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCC/C=C/CCCCCCCCC)CCCC\C=C/CCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC
CACTVS 3.341CCCCCCCCCC=CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCCCCC
FormulaC40 H75 O10 P
Name(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE
ChEMBL
DrugBank
ZINCZINC000098209291
PDB chain5o5e Chain A Residue 501 [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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PDB5o5e Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		A203 W243 R377
Binding residue
(residue number reindexed from 1)		A182 W222 R356
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.8.15: UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase.
Gene Ontology
Molecular Function
GO:0003975 UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase activity
GO:0003976 UDP-N-acetylglucosamine-lysosomal-enzyme N-acetylglucosaminephosphotransferase activity
GO:0005515 protein binding
GO:0016757 glycosyltransferase activity
GO:0016780 phosphotransferase activity, for other substituted phosphate groups
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006047 UDP-N-acetylglucosamine metabolic process
GO:0006486 protein glycosylation
GO:0006487 protein N-linked glycosylation
GO:0006488 dolichol-linked oligosaccharide biosynthetic process
GO:0019348 dolichol metabolic process
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5o5e, PDBe:5o5e, PDBj:5o5e
PDBsum5o5e
PubMed30388443
UniProtQ9H3H5|GPT_HUMAN UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (Gene Name=DPAGT1)

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