Structure of PDB 5azb Chain A Binding Site BS03

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 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5azb Crystal structure of E. coli lipoprotein diacylglyceryl transferase
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H24 Y26 G27 Y30 L31 F34 Y62 F65 G138
Binding residue
(residue number reindexed from 1)		H22 Y24 G25 Y28 L29 F32 Y60 F63 G136
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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