Abstract:
:Shape analysis of coordination complexes is well-suited to evaluate the subtle distortions in the trigonal bipyramidal (TBPY-5) geometry of vanadium coordinated in the active site of phosphatases and characterized by X-ray crystallography. Recent studies using the tau (τ) analysis support the assertion that vanadium is best described as a trigonal bipyramid, because this geometry is the ideal transition state geometry of the phosphate ester substrate hydrolysis (C.C. McLauchlan, B.J. Peters, G.R. Willsky, D.C. Crans, Coord. Chem. Rev. http://dx.doi.org/10.1016/j.ccr.2014.12.012 ; D.C. Crans, M.L. Tarlton, C.C. McLauchlan, Eur. J. Inorg. Chem. 2014, 4450-4468). Here we use continuous shape measures (CShM) analysis to investigate the structural space of the five-coordinate vanadium-phosphatase complexes associated with mechanistic transformations between the tetrahedral geometry and the five-coordinate high energy TBPY-5 geometry was discussed focusing on the protein tyrosine phosphatase 1B (PTP1B) enzyme. No evidence for square pyramidal geometries was observed in any vanadium-protein complexes. The shape analysis positioned the metal ion and the ligands in the active site reflecting the mechanism of the cleavage of the organic phosphate in a phosphatase. We identified the umbrella distortions to be directly on the reaction path between tetrahedral phosphate and the TBPY-5-types of high-energy species. The umbrella distortions of the trigonal bipyramid are therefore identified as being the most relevant types of transition state structures for the phosphoryl group transfer reactions for phosphatases and this may be related to the possibility that vanadium is an inhibitor for enzymes that support both exploded and five-coordinate transition states.
journal_name
J Inorg Biochemjournal_title
Journal of inorganic biochemistryauthors
Sánchez-Lombardo I,Alvarez S,McLauchlan CC,Crans DCdoi
10.1016/j.jinorgbio.2015.04.005subject
Has Abstractpub_date
2015-06-01 00:00:00pages
153-64eissn
0162-0134issn
1873-3344pii
S0162-0134(15)00099-9journal_volume
147pub_type
杂志文章abstract::Protein tyrosine nitration, protein oxidation and lipid peroxidation are nitrative/oxidative modification of protein and lipids. In this paper, a BSA (bovine serum albumin)-lecithin liposome system was used to study the nature of different forms of iron, including methemoglobin, hemin and ferric citrate, in catalyzing...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2009.01.020
更新日期:2009-05-01 00:00:00
abstract::The stoichiometry and stability constants of the Ga(III) complexes of 8-hydroxyquinoline (HQ), 8-hydroxyquinoline-5-sulfonate (HQS), maltol, thiomaltol, allomaltol and thioallomaltol were determined by means of pH-potentiometry, UV-vis spectrophotometry, spectrofluorometry and (1)H NMR spectroscopy in aqueous solution...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2012.08.005
更新日期:2012-12-01 00:00:00
abstract::Interactions of three Ru(II) chlorophenyl terpyridine complexes: [Ru(Cl-Ph-tpy)(en)Cl]Cl (1), [Ru(Cl-Ph-tpy)(dach)Cl]Cl (2) and [Ru(Cl-Ph-tpy)(bpy)Cl]Cl (3) (Cl-Ph-tpy = 4'-(4-chlorophenyl)-2,2':6',2''-terpyridine, en = 1,2-diaminoethane, dach = 1,2-diaminocyclohexane, bpy = 2,2'-bipyridine) with human serum albumin (...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2020.111090
更新日期:2020-07-01 00:00:00
abstract::A previous publication [Frenkel, Cain, and Chao, Biochem. Biophys. Res. Commun. 127, 849-856 (1985)] described the observation that double-stranded DNA which was briefly exposed to methyl mercury (MeHg) and purified to remove free methyl mercury was transcribed at a higher rate by RNA polymerase II from wheat germ. Th...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/0162-0134(86)80012-5
更新日期:1986-06-01 00:00:00
abstract::Two types of polysaccharides, sulfated hyaluronic acid and heparin, were pattern-immobilized on a poly(ethylene terephthalate) and polystyrene film, respectively, in a specific pattern by photolithography. Sulfated hyaluronic acid was prepared from hylaronic acid by the treatment of sulfur trioxide/pyridine complex. H...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/s0162-0134(99)00159-2
更新日期:2000-04-01 00:00:00
abstract::Although selenium is taken with diet mainly as selenoamino acids, its hypoglycaemic action on hepatic gluconeogenesis has been studied with the use of inorganic selenium derivatives. The aim of the present investigation was to compare relative efficacies of inorganic and organic selenium compounds in reducing glucose ...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2006.11.012
更新日期:2007-03-01 00:00:00
abstract::The study of modified synthetic procedure of water soluble morin-5'-sulfonic acid sodium salt (NaMSA) involving less aggressive chemicals and carried out at mild conditions was described. The NaMSA salt is a convenient source of anionic morin-5'-sulfonic ligand (MSA) in ion exchange reactions. The coordination ability...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2014.09.005
更新日期:2014-12-01 00:00:00
abstract::1,2-diolato ligands, such as carbohydrates and glycoproteins, tend to stabilize chromium(V), thus forming important intermediates that have been implicated in the genotoxicity of Cr(VI). Since many years, room-temperature continuous-wave electron paramagnetic resonance (EPR) at X-band microwave frequencies has been us...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2016.07.012
更新日期:2016-09-01 00:00:00
abstract::Computational studies were conducted to identify the favourable formation of the inclusion complex of chloramphenicol with cyclodextrins. The results of molecular docking and molecular dynamics predicted the strongest interaction of chloramphenicol with γ-cyclodextrin. Further, the inclusion complex of chloramphenicol...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2016.01.008
更新日期:2016-04-01 00:00:00
abstract::The basic knowledge about biological inorganic chemistry, thermodynamics and metal binding sites of metalloproteins is crucial for the understanding of their metal binding-structure-function relationship. Metal-peptide complexes are useful and commonly used models of metal-enzyme active sites, among which copper and z...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2016.02.030
更新日期:2016-10-01 00:00:00
abstract::Aluminium chemistry has features in common with two other groups of elements: (1) divalent magnesium and calcium, and (2) trivalent chromium and iron. The essential differences between the first group and aluminium are explored and it is shown that the much higher acidity of aluminium makes it such a powerful competit...
journal_title:Journal of inorganic biochemistry
pub_type:
doi:10.1016/s0162-0134(99)00118-x
更新日期:1999-08-30 00:00:00
abstract::A systematic density functional theory study supported by extended X-ray absorption fine structure (EXAFS) and infrared spectroscopic data was conducted to elucidate how structure and vibrational spectra of aqueous desferrioxamine B (DFOB) metal complexes vary with the metal ion identity. Structural parameters derived...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2013.08.008
更新日期:2013-12-01 00:00:00
abstract::The stoichiometry of dioxygen uptake of Co complexes with 4',5'-bis-(5-chloro-2-hydroxyphenylmethylideneimino)benzo-12-crown-4 (1a), 4',5'-bis(2-hydroxyphenylmethylideneimino)benzo-12-crown-4 (1b), 4',5'-bis-(5-methoxy-2-hydroxyphenylmethylideneimino)benzo-12-crown-4 (1c), 4',5'-bis-(5-chloro-2-hydroxyphenylmethyliden...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2006.03.004
更新日期:2006-08-01 00:00:00
abstract::The impact of Zn(2+) ion on interactions of flavonols galangin (Gal), kaempferol (Kae), quercetin (Que) and myricetin (Myr) with bovine serum albumin (BSA) in aqueous solution were studied by fluorescence quenching technique. The results exhibited that Zn(2+) ion affected significantly the interactions and the effect ...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2009.10.014
更新日期:2010-02-01 00:00:00
abstract::Sulfur- and selenium-containing amino acids are of great biological importance, but their metal-binding properties with biologically-relevant metal ions are not well investigated. Stability constants of the methionine, selenomethionine, methylcysteine, and methylselenocysteine with Cu(II) and Fe(II) were determined by...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2019.03.001
更新日期:2019-06-01 00:00:00
abstract::Maintenance of cellular iron homeostasis demands the coordination of iron uptake, intracellular storage, and utilization. Recent investigations suggest that a single genetic regulatory system orchestrates the expression of proteins with central importance for all three aspects of cellular iron metabolism at the level ...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章,评审
doi:10.1016/0162-0134(92)84064-t
更新日期:1992-08-15 00:00:00
abstract::Studies of complexation equilibria of the antibiotic anions nalidixate and cinoxacinate with [Cu(phen)]2+ and [Cu(bipy)]2+ are reported. These studies indicate that the stability of this type of complex is strongly related to the metal environment. A correlation between the stability constants, determined here, with t...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/0162-0134(96)00041-4
更新日期:1996-11-15 00:00:00
abstract::The binding of Cu2+ to native and copper-free dopamine beta-monooxygenase has been investigated by potentiometric titrations using a Cu2+-selective electrode. Stoichiometric formation constants have been determined from regression analysis of the resulting titration curves. The results establish a stoichiometry of fou...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/0162-0134(86)80037-x
更新日期:1986-01-01 00:00:00
abstract::Two macrocycles (1 and 2) are prepared that incorporate pendent groups in macrocycle 3 (3=1-oxa-4,7,10-triazacyclododecane) with the goal of studying the effect of these pendent groups on metal ion complexation, solution chemistry and catalysis. Zn(1) contains a macrocyclic ligand with a pendent acridine group and Zn(...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2007.03.002
更新日期:2007-06-01 00:00:00
abstract::Novel bismuth(III) complexes 1-4 with the tridentate thiosemicarbazone ligand of 2N1S donor atoms [Hmtsc (L1); 2-acetylpyridine (4N-morpholyl thiosemicarbazone)], the pentadentate double-armed thiosemicarbazone ligand of 3N2S donor atoms [H2dmtsc (L3); 2,6-diacetylpyridine bis(4N-morpholyl thiosemicarbazone)] and the ...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2004.01.011
更新日期:2004-04-01 00:00:00
abstract::One-electron reduction and oxidation induced by vanadium complexes are demonstrated to be useful in oxidative and reductive transformations of carbonyl compounds. The redox interaction between vanadium complexes and redox-active ligands is achieved with coenzyme PQQ and polyanilines that afford the corresponding redox...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章,评审
doi:10.1016/s0162-0134(00)00036-2
更新日期:2000-05-30 00:00:00
abstract::The interactions between the nucleotides: adenosine-5'-diphosphate (ADP) and adenosine-5'-triphosphate (ATP) with spermine (Spm) and 1,11-diamine-4,8-diazaundecane (3,3,3-tet), as well as Cu(II) ions are studied. In the metal-free systems nucleotide-polyamine molecular complexes have been found to form, in which the i...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/s0162-0134(03)00150-8
更新日期:2003-08-01 00:00:00
abstract::The reactions of several horse heart myoglobin species with nitrosyl hydride, HNO, derived from Angeli's salt (AS) and Piloty's acid (PA) have been followed by UV-visible, (1)H NMR and EPR spectroscopies. Spectral analysis of myoglobin-derived speciation during the reactions was obtained by using singular value decomp...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2012.10.005
更新日期:2013-01-01 00:00:00
abstract::Al(III) toxicity in living organisms is based on competition with other metal cations. Mg(II) is one of the most affected cations, since the size similarity dominates over the charge identity. The slow ligand exchange rates for Al(III) render the ion useless as a metal ion at the active sites of enzymes and provide a ...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2005.12.007
更新日期:2006-03-01 00:00:00
abstract::The interaction between a ruthenium - based water soluble oxygen probe ([Ru(Phen)3]2+, phen - phenanthroline) and human serum albumin (HSA) was investigated with the aim of describing the influence of HSA on the [Ru(Phen)3]2+ luminescence properties. Nowadays, several oxygen sensitive luminescent probes are used to de...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2017.05.016
更新日期:2017-09-01 00:00:00
abstract::The prostate gland of humans and other animals accumulates a level of zinc that is 3-10 times greater than that found in other tissues. Associated with this ability to accumulate zinc is a rapid zinc uptake process in human prostate cells, which we previously identified as the hZIP1 zinc transporter. We now provide ad...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/s0162-0134(03)00249-6
更新日期:2003-08-01 00:00:00
abstract::New heteroditopic, bi- and multidentate imino- and aminophosphine ligands were synthesised and complexed to [AuCl(THT)] (THT=tetrahydrothiophene). X-ray crystallography confirmed Schiff base formation in three products, the successful reduction of the imino-group to the sp(3)-hybridised amine in several instances, and...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/j.jinorgbio.2015.01.014
更新日期:2015-04-01 00:00:00
abstract::During its metabolism, vanadium is known to become associated with the iron storage protein, ferritin. To elucidate probable vanadium binding sites on the protein, VO2+ binding to mammalian ferritins was studied using site-directed mutagenesis and EPR spectroscopy. VO2+-apoferritin EPR spectra of human H-chain (100% H...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/s0162-0134(00)00046-5
更新日期:2000-05-30 00:00:00
abstract::The stability constants of the mixed ligand complexes formed between Cu(Arm)2+, where Arm=2,2'-bipyridine (Bpy) or 1,10-phenanthroline (Phen), and the monoanion or the dianion of 9-(4-phosphonobutyl)adenine (dPMEA=3'-deoxa-PMEA), which is the carba analogue of the antivirally active 9-[2-(phosphonomethoxy)ethyl]adenin...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/s0162-0134(00)00194-x
更新日期:2001-03-01 00:00:00
abstract::This work describes the synthesis and characterization of six new dinuclear platinum complexes having N,N'-di-(2-aminoethyl)-1,3-diamino-2-propanol, aryl substituted N-benzyl-1,4-butanediamines and N-benzyl-1,6-hexanediamines as ligands. They were prepared by the reaction of cis-[PtCl(2)(DMSO)(2)] (DMSO=dimethyl sulfo...
journal_title:Journal of inorganic biochemistry
pub_type: 杂志文章
doi:10.1016/s0162-0134(03)00129-6
更新日期:2003-07-01 00:00:00