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Bis-molybdopterin guanine dinucleotide (M2MDB001713)

Record Information
Version2.0
Creation Date2012-07-30 14:55:17 -0600
Update Date2015-06-03 17:21:08 -0600
Secondary Accession Numbers
  • ECMDB21310
Identification
Name:Bis-molybdopterin guanine dinucleotide
DescriptionBis-molybdopterin guanine dinucleotide is a member of the chemical class known as Purine Ribonucleoside Diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • bis-molybdopterin guanine dinucleotide
  • MGD
  • Molybdopterin guanine dinucleotide
  • MoO2(OH)Dtpp-mGDP
  • MoO2(OH)Dtpp-mGDP
  • MPT-GMP
Chemical Formula:C20H28MoN10O15P2S2
Weight:Average: 870.51
Monoisotopic: 871.970632526
InChI Key:PNPXRABSZIPVFU-UHFFFAOYSA-J
InChI:InChI=1S/C20H28N10O13P2S2.Mo.2H2O/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34;;;/h3-6,8-10,14,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);;2*1H2/q;+2;;/p-4
CAS number:Not Available
IUPAC Name:molybdenum(2+) ion 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[({[({2-imino-4-oxido-6,7-disulfanyl-1H,2H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methyl phosphonato)oxy]phosphinato}oxy)methyl]oxolan-2-yl]-2-imino-3,4,5,9-tetrahydro-2H-purin-6-olate dihydrate
Traditional IUPAC Name:molybdenum(2+) ion 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[({2-imino-4-oxido-6,7-disulfanyl-1H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methyl phosphonato)oxyphosphinato]oxy}methyl)oxolan-2-yl]-2-imino-4,5-dihydro-3H-purin-6-olate dihydrate
SMILES:O.O.[Mo++].[H][C@]1(COP([O-])(=O)OP([O-])(=O)OCC2([H])OC3([H])NC4=C(NC3([H])C(S)=C2S)C([O-])=NC(=N)N4)O[C@@]([H])(N2C=NC3([H])C([O-])=NC(=N)NC23[H])[C@]([H])(O)[C@]1([H])O
Chemical Taxonomy
ClassificationNot classified
Physical Properties
State:Not Available
Charge:-1
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
logP-4.9ChemAxon
pKa (Strongest Acidic)-4.3ChemAxon
pKa (Strongest Basic)15.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count20ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area349.13 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity209.14 m³·mol⁻¹ChemAxon
Polarizability62.59 ųChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
bis-molybdopterin mono-guanine dinucleotide + Guanosine triphosphate + Hydrogen ion > Bis-molybdopterin guanine dinucleotide + Pyrophosphate
Bis-molybdopterin guanine dinucleotide + Guanosine triphosphate + Hydrogen ion + Molybdopterin guanine dinucleotide > Guanylyl molybdenum cofactor + Pyrophosphate
SMPDB Pathways:
guanylyl molybdenum cofactor biosynthesisPW002032 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:Not Available
EcoCyc Pathways:
  • guanylyl molybdenum cofactor biosynthesis PWY-5964
Concentrations
Not Available
Spectra
Spectra:Not Available
References
References:
  • Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound ID50986239
Kegg IDNot Available
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDCPD-582
EcoCyc IDCPD-582

Enzymes

Protein Details
1. Molybdopterin-guanine dinucleotide biosynthesis protein A
General function:
Involved in catalytic activity
Specific function:
Links a guanosine 5'-phosphate to molydopterin (MPT) forming molybdopterin guanine dinucleotide (MGD)
Gene Name:
mobA
Uniprot ID:
P32173
Molecular weight:
21643
Reactions
GTP + molybdenum cofactor = diphosphate + guanylyl molybdenum cofactor.
Protein Details
2. Molybdopterin-guanine dinucleotide biosynthesis protein B
General function:
Involved in GTP binding
Specific function:
May bind the guanine nucleotide required for the synthesis of molybdopterin guanine dinucleotide
Gene Name:
mobB
Uniprot ID:
P32125
Molecular weight:
19363