Structure of PDB 5d57 Chain B Binding Site BS02

Receptor Information
>5d57 Chain B (length=99) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAWINEAAFRQEGVAVLLCVVIAAWLDVDAVTRVLLISSVMLVMIVELLN
SAIEAVVDRIGSEYHELSGRAKDLGSAAVLIAIIDAVITWAILLWSHFG
Ligand information
Ligand ID78M
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m0/s1
InChIKeyBJMLBVHMHXYQFS-JJEJIETFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCC=CCCCCCC(=O)OCC(CO)O
ACDLabs 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O
CACTVS 3.370CCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
CACTVS 3.370CCCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO
FormulaC18 H34 O4
Name(2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE;
7.8 MONOACYLGLYCEROL
ChEMBL
DrugBank
ZINCZINC000098208564
PDB chain5d57 Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5d57 In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E34 V62 E69 A108 W112 A113
Binding residue
(residue number reindexed from 1)		E12 V40 E47 A86 W90 A91
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.1.107: diacylglycerol kinase (ATP).
Gene Ontology
Molecular Function
GO:0004143 ATP-dependent diacylglycerol kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006654 phosphatidic acid biosynthetic process
GO:0008610 lipid biosynthetic process
GO:0008654 phospholipid biosynthetic process
GO:0009411 response to UV
GO:0016310 phosphorylation
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5d57, PDBe:5d57, PDBj:5d57
PDBsum5d57
PubMed26894538
UniProtP0ABN1|KDGL_ECOLI Diacylglycerol kinase (Gene Name=dgkA)

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