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L-Lysyl-tRNA (M2MDB004259)

Record Information
Version2.0
Creation Date2015-06-04 15:14:56 -0600
Update Date2015-09-17 16:25:05 -0600
Secondary Accession Numbers
  • ECMDB23777
Identification
Name:L-Lysyl-tRNA
DescriptionL-Lysyl-tRNA is an intermediate in tRNA charging pathway in E.coli. It is a product for the enzyme lysyl-tRNA synthetase which catalyzes the reaction ATP + L-lysine + tRNALys -> AMP + diphosphate + L-lysyl-tRNALys (BioCyc class: Charged-LYS-tRNAs).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • moco (dioxyo)
  • Molybdenum cofactor
  • Molybdenum cofactor (dioxyo)
  • Molybdopterin
  • Molybdopterin cofactor
  • MoO2(OH)DTPP-MP
  • Pterin molybdenum cofactor
Chemical Formula:C10H16MoN5O8PS2
Weight:Average: 525.31
Monoisotopic: 526.923197
InChI Key:VUKICSJFFDCESC-UHFFFAOYSA-L
InChI:InChI=1S/C10H14N5O6PS2.Mo.2H2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;2*1H2/q;+2;;/p-2
CAS number:Not Available
IUPAC Name:{[(1R,10R,16R)-5-amino-7,13,13-trioxo-17-oxa-12,14-dithia-2,4,6,9-tetraaza-13-molybdatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),5,11(15)-trien-16-yl]methoxy}phosphonic acid
Traditional IUPAC Name:[(1R,10R,16R)-5-amino-7,13,13-trioxo-17-oxa-12,14-dithia-2,4,6,9-tetraaza-13-molybdatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),5,11(15)-trien-16-yl]methoxyphosphonic acid
SMILES:O.O.[Mo++].[H]C1(COP(O)([O-])=O)OC2([H])NC3=C(NC2([H])C(S)=C1S)C([O-])=NC(=N)N3
Chemical Taxonomy
Description belongs to the class of organic compounds known as molybdopterins. These are cofactors or analogs thereof, with a structure based on a furan ring fused to a pterin. In addition, the pyran ring features two thiolates, which serve as ligands in molybdo- and tungstoenzymes. In some cases, the alkyl phosphate group is replaced by an alkyl diphosphate nucleotide.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassPterins and derivatives
Direct ParentMolybdopterins
Alternative Parents
Substituents
  • Molybdopterin
  • Pyranopterin
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyran
  • Pyrimidine
  • Alkyl phosphate
  • Heteroaromatic compound
  • Vinylogous amide
  • Oxacycle
  • Azacycle
  • Organic transition metal salt
  • Secondary amine
  • Organic nitrogen compound
  • Amine
  • Primary amine
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organic salt
  • Organic zwitterion
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
State:Not Available
Charge:-2
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility15.1 g/LALOGPS
logP-0.77ALOGPS
logP-2ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)1.32ChemAxon
pKa (Strongest Basic)0.58ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area201.67 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity99.85 m³·mol⁻¹ChemAxon
Polarizability37.28 ųChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
Adenosine triphosphate + L-Lysine + tRNA(Lys) + tRNA(Lys) <> Adenosine monophosphate + Pyrophosphate + L-Lysyl-tRNA + L-Lysyl-tRNA
Adenosine triphosphate + L-Lysine + tRNA(Lys) <> Adenosine monophosphate + Pyrophosphate + L-Lysyl-tRNA
Adenosine triphosphate + L-Lysine + tRNA(Lys) <> Adenosine monophosphate + Pyrophosphate + L-Lysyl-tRNA
SMPDB Pathways:Not Available
KEGG Pathways:
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-1001490000-091785fadf0c99815232View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-2716590000-a90bcfbde344a354202aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03n9-3590100000-a2202d5711a75d478b24View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-057i-9807040000-c21a4d117fb17fac0caeView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9101010000-ec6e265b2a1018754abcView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-34876436187e1e79d1afView in MoNA
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID71306
HMDB IDNot Available
Pubchem Compound ID56928099
Kegg IDC01931
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

Protein Details
1. Lysyl-tRNA synthetase
General function:
Involved in nucleotide binding
Specific function:
ATP + L-lysine + tRNA(Lys) = AMP + diphosphate + L-lysyl-tRNA(Lys)
Gene Name:
lysS
Uniprot ID:
P0A8N3
Molecular weight:
57603
Reactions
ATP + L-lysine + tRNA(Lys) = AMP + diphosphate + L-lysyl-tRNA(Lys).
Protein Details
2. Lysyl-tRNA synthetase, heat inducible
General function:
Involved in nucleotide binding
Specific function:
Also can synthesize a number of adenyl dinucleotides (in particular AppppA). These dinucleotides have been proposed to act as modulators of the heat-shock response and stress response
Gene Name:
lysU
Uniprot ID:
P0A8N5
Molecular weight:
57826
Reactions
ATP + L-lysine + tRNA(Lys) = AMP + diphosphate + L-lysyl-tRNA(Lys).
Protein Details
3. Uncharacterized protein YjeA
General function:
Involved in nucleotide binding
Specific function:
With YjeK might be involved in the post-translational modification of elongation factor P (EF-P)
Gene Name:
poxA
Uniprot ID:
P0A8N7
Molecular weight:
36976