Structure of PDB 7cny Chain C Binding Site BS01

Receptor Information
>7cny Chain C (length=247) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSLQYILPKLWLTRLAGWGASKRAGWLTKLVIDLFVKYYKVDMKEAQKPD
TASYRTFNEFFVRPLRDEVRPIDTDPNVLVMPADGVISQLGKIEEDKILQ
AKGHNYSLEALLAGNYLMADLFRNGTFVTTYLSPRDYHRVHMPCNGILRE
MIYVPGDLFSVNHLTAQNVPNLFARNERVICLFDTEFGPMAQILVGATIV
GSIETVWAGTITPPREGIIKRWTWPAGENDGSVALLKGQEMGRFKLG
Ligand information
Ligand IDG8C
InChIInChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyUNACBKDVIYEXSL-LJQANCHMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC
CACTVS 3.385CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
CACTVS 3.385CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
FormulaC21 H42 N O8 P
Name1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine
ChEMBL
DrugBank
ZINC
PDB chain7cny Chain D Residue 301 [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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PDB7cny Structural insights into phosphatidylethanolamine formation in bacterial membrane biogenesis.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		Y137 L138 S166 V167 I205
Binding residue
(residue number reindexed from 1)		Y131 L132 S160 V161 I199
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.65: phosphatidylserine decarboxylase.
Gene Ontology
Molecular Function
GO:0004609 phosphatidylserine decarboxylase activity
Biological Process
GO:0008654 phospholipid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7cny, PDBe:7cny, PDBj:7cny
PDBsum7cny
PubMed33707636
UniProtP0A8K1|PSD_ECOLI Phosphatidylserine decarboxylase proenzyme (Gene Name=psd)

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