L-Histidyl-tRNA(His) (ECMDB23780) (M2MDB004273)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes (1)XML
Proteins (460)
Record Information
Version2.0
Creation Date2015-06-04 15:15:36 -0600
Update Date2015-09-17 16:25:05 -0600
Secondary Accession Numbers
  • ECMDB23780
Identification
Name:L-Histidyl-tRNA(His)
DescriptionL-Histidyl-tRNA(His) is an intermediate in aminoacyl-tRNA biosynthesis in E.coli. It is a product for the enzyme histidyl tRNA synthetase which catalyzes the reaction a tRNAhis + L-histidine -> an L-histidyl-[tRNAhis] (KEGG compound: C02988).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • Cob(II)yrinate a,c diamide
  • Cob(II)yrinate a,c-diamide
  • Cob(II)yrinate diamide
  • Cob(ii)yrinic acid a,c diamide
  • Cob(II)yrinic acid a,c-diamide
  • Cob(II)yrinic acid diamide
Chemical Formula:C45H61CoN6O12
Weight:Average: 936.946
Monoisotopic: 936.367392
InChI Key:IADMSJRJSGLGJI-UHFFFAOYSA-M
InChI:InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1
CAS number:Not Available
IUPAC Name:[(1R,2R,3R,4R,6Z,8S,13S,14S,18S,19S)-14,19-bis(carbamoylmethyl)-4,8,13,18-tetrakis(2-carboxyethyl)-3-(carboxymethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium
Traditional IUPAC Name:[(1R,2R,3R,4R,6Z,8S,13S,14S,18S,19S)-14,19-bis(carbamoylmethyl)-4,8,13,18-tetrakis(2-carboxyethyl)-3-(carboxymethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium
SMILES:[Co++].[H]C1(CCC(O)=O)\C2=C\C3=N\C(=C(C)\C4=NC([H])(C([H])(CC(O)=O)C4(C)CCC(O)=O)C4(C)N\C(=C(C)/C(=N2)C1(C)CC([NH-])=O)C([H])(CCC(O)=O)C4(C)CC(O)=N)\C([H])(CCC(O)=O)C3(C)C
Chemical Taxonomy
Description belongs to the class of organic compounds known as precorrins. These are intermediates formed by methylation at one or more of the four rings prior to the formation of the macrocyclic corrin ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTetrapyrroles and derivatives
Sub ClassCorrinoids
Direct ParentPrecorrins
Alternative Parents
Substituents
  • Precorrin
  • Metallotetrapyrrole skeleton
  • Pentacarboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Pyrrolidine
  • Pyrroline
  • Carboxamide group
  • Ketimine
  • Primary carboxylic acid amide
  • Carbene-type 1,3-dipolar compound
  • Organic transition metal salt
  • Azacycle
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organic cobalt salt
  • Organic salt
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Imine
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic cation
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Physical Properties
State:Not Available
Charge:-1
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0.013 g/LALOGPS
logP1.37ALOGPS
logP-7.4ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)3.32ChemAxon
pKa (Strongest Basic)8.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area313 ŲChemAxon
Rotatable Bond Count18ChemAxon
Refractivity228.49 m³·mol⁻¹ChemAxon
Polarizability93.17 ųChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
Adenosine triphosphate + L-Histidine + tRNA(His) + tRNA(His) <> Adenosine monophosphate + L-Histidyl-tRNA(His) + Pyrophosphate + L-Histidyl-tRNA(His)
Adenosine triphosphate + L-Histidine + tRNA(His) <> Adenosine monophosphate + L-Histidyl-tRNA(His) + Pyrophosphate
Adenosine triphosphate + L-Histidine + tRNA(His) <> Adenosine monophosphate + L-Histidyl-tRNA(His) + Pyrophosphate
SMPDB Pathways:Not Available
KEGG Pathways:
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:Not Available
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID27937
HMDB IDNot Available
Pubchem Compound ID441051
Kegg IDC02988
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

Protein Details
1. Histidyl-tRNA synthetase
General function:
Involved in nucleotide binding
Specific function:
ATP + L-histidine + tRNA(His) = AMP + diphosphate + L-histidyl-tRNA(His)
Gene Name:
hisS
Uniprot ID:
P60906
Molecular weight:
47029
Reactions
ATP + L-histidine + tRNA(His) = AMP + diphosphate + L-histidyl-tRNA(His).