Structure of PDB 5azb Chain A Binding Site BS04

Receptor Information
>5azb Chain A (length=284) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSYLHFPEFDPVIFSIGPVALHWYGLMYLVGFIFAMWLATRRANRPGSGW
TKNEVENLLYAGFLGVFLGGRIGYVLFYNFPQFMADPLYLFRVWDGGMSF
HGGLIGVIVVMIIFARRTKRSFFQVSDFIAPLIPFGLGAGRLGNFINGEL
WGRVDPNFPFAMLFPGSRTEDILLLQTNPQWQSIFDTYGVLPRHPSQLYE
LLLEGVVLFIILNLYIRKPRPMGAVSGLFLIGYGAFRIIVEFFRQPDAQF
TGAWVQYISMGQILSIPMIVAGVIMMVWAYRRSP
Ligand information
Ligand IDPGT
InChIInChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m1/s1
InChIKeyKBPVYRBBONZJHF-AMAPPZPBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(CO)O
CACTVS 3.341CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](O)(=O)OC[C@H](O)CO
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O
CACTVS 3.341CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC(O)CO)O)CCCCCCCCCCCCCCC
FormulaC40 H79 O10 P
Name(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE;
PHOSPHATIDYLGLYCEROL;
1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)](SODIUM SALT)
ChEMBL
DrugBank
ZINCZINC000058638415
PDB chain5azb Chain A Residue 307 [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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PDB5azb Crystal structure of E. coli lipoprotein diacylglyceryl transferase
Resolution1.6 Å
Binding residue
(original residue number in PDB)		I233 M278 Y282
Binding residue
(residue number reindexed from 1)		I231 M276 Y280
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.145: phosphatidylglycerol--prolipoprotein diacylglyceryl transferase.
Gene Ontology
Molecular Function
GO:0008961 phosphatidylglycerol-prolipoprotein diacylglyceryl transferase activity
GO:0016740 transferase activity
Biological Process
GO:0042158 lipoprotein biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0009898 cytoplasmic side of plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5azb, PDBe:5azb, PDBj:5azb
PDBsum5azb
PubMed26729647
UniProtP60955|LGT_ECOLI Phosphatidylglycerol--prolipoprotein diacylglyceryl transferase (Gene Name=lgt)

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