Abstract：
:X-ray structural information provides the opportunity to explore quantitatively the relation between the microenvironments of heme proteins and their redox potentials. This can be done by considering the protein as a "solvent" for its redox center and calculating the difference between the electrostatic energy of the reduced and oxidized heme. Such calculations are presented here, applying the protein dipoles-Langevin dipoles (PDLD) model to cytochrome c. The calculations focus on an evaluation of the difference between the redox potentials of cytochrome c and the octapeptide-methionine complex formed by hydrolysis of cytochrome c. The corresponding difference (approximately 7 kcal/mol) is accounted for by the PDLD calculations. It is found that the protein provides basically a low dielectric environment for the heme, which destabilizes the oxidized heme (relative to its energy in water). The effect of the charged propionic acids on the heme is examined in a preliminary way. It is found that the negative charges of these groups are in a hydrophilic rather than a hydrophobic environment and that the protein-water system provides an effective high dielectric constant for their interaction with the heme. The dual nature of the dielectric effect of the cytochrome (a low dielectric constant for the self-energy of the heme and a high dielectric constant for charge-charge interactions) is discussed. The findings of this work are consistent with the difference between the folding energies of the reduced and oxidized cytochrome c.
journal_name
Biochemistryjournal_title
Biochemistryauthors
Churg AK,Warshel Adoi
10.1021/bi00355a035subject
Has Abstractpub_date
1986-04-08 00:00:00pages
1675-81issue
7eissn
0006-2960issn
1520-4995journal_volume
25pub_type
杂志文章相关文献
BIOCHEMISTRY文献大全abstract：:A novel inhibitor of p38 mitogen-activated protein kinase (p38), CMPD1, identified by high-throughput screening, is characterized herein. Unlike the p38 inhibitors described previously, this inhibitor is substrate selective and noncompetitive with ATP. In steady-state kinetics experiments, CMPD1 was observed to preven...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi0495073
更新日期：2004-09-21 00:00:00
abstract：:The initial step in the l-kynurenine pathway is oxidation of l-tryptophan to N-formylkynurenine and is catalyzed by one of two heme enzymes, tryptophan 2,3-dioxygenase (TDO) or indoleamine 2,3-dioxygenase (IDO). Here, we address the role of the conserved active site Ser167 residue in human IDO (S167A and S167H variant...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi702405a
更新日期：2008-04-22 00:00:00
abstract：:The membrane topology model of the Na(+)-citrate transporter CitS of Klebsiella pneumoniae shows a core of two homologous domains with opposite orientation in the membrane and each containing a so-called reentrant loop. A split version of CitS was constructed to study domain interactions and proximity relationships of...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi100336s
更新日期：2010-06-01 00:00:00
abstract：:FixL is a heme-based oxygen-sensing histidine kinase that induces the expression of nitrogen fixation genes under hypoxic conditions. Oxygen dissociation from heme iron in the sensor domain of FixL initiates protein conformational changes that are transmitted to the histidine kinase domain, activating autophosphorylat...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/acs.biochem.6b00405
更新日期：2016-07-26 00:00:00
abstract：:The structural protein nonerythroid alpha spectrin (alphaIISp) plays a role in the repair of DNA interstrand cross-links and is deficient in cells from patients with Fanconi anemia (FA), in which there is a defect in ability to repair such cross-links. We have proposed a model in which alphaIISp, whose stability is de...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi801483u
更新日期：2009-01-20 00:00:00
abstract：:SH2 domains are protein modules which interact with specific tyrosine phosphorylated sequences in target proteins. The SH2 domain of the Src kinase binds with high affinity to a tyrosine phosphorylated peptide containing the amino acids Glu, Glu, and Ile (EEI) at the positions +1, +2, and +3 C-terminal to the phosphot...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi982974y
更新日期：1999-04-20 00:00:00
abstract：:The molecular dynamics of binary dispersions of plasmenylcholine/cholesterol and phosphatidylcholine/cholesterol were quantified by electron spin resonance (ESR) and deuterium magnetic resonance (2H NMR) spectroscopy. The order parameter of both 5-doxylstearate (5DS) and 16-doxylstearate (16DS) was larger in vesicles ...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi00389a033
更新日期：1987-07-28 00:00:00
abstract：:A striking feature of the CLIC (chloride intracellular channel) protein family is the ability of its members to convert between a soluble state and an integral membrane channel form. Direct evidence of the structural transition required for the CLIC protein to autonomously insert into the membrane is lacking, largely ...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi100111c
更新日期：2010-06-29 00:00:00
abstract：:Napin BnIb is a representative member of the 2S albumin seed proteins, which consists of two polypeptide chains of 3.8 and 8.4 kDa linked by two disulfide bridges. In this work, a complete assignment of the 1H spectra of napin BnIb has been carried out by two-dimensional NMR sequence-specific methods and its secondary...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi961748q
更新日期：1996-12-10 00:00:00
abstract：:All known Mn-containing superoxide dismutases (MnSODs) have a highly conserved histidine (His-30 in Escherichia coli FeSOD) in the active-site channel, and nearly all have an active-site arginine (Arg-170) that has been proposed to play a combined structural and functional role [Chan et al., Arch. Biochem. Biophys. 27...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi980167t
更新日期：1998-08-11 00:00:00
abstract：:We have examined the C cluster in type II CO dehydrogenase (CODH) from Carboxydothermus hydrogenformans using Ni K-edge X-ray absorption near edge spectroscopy and extended X-ray absorption fine structure (EXAFS) spectroscopy. The enzyme was studied under three conditions: "as-isolated" and after treatment with CO or ...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi036104e
更新日期：2004-07-20 00:00:00
abstract：:It is now well established that guanine nucleotides are allosteric effectors of the vinca alkaloid-induced self-association of tubulin. GDP enhances self-association for vinblastine-, vincristine- and vinorelbine-induced spiral assembly relative to GTP by 0.90 +/- 0.17 kcal/mol [Lobert et al. (1996) Biochemistry 35, 6...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi971120v
更新日期：1997-10-21 00:00:00
abstract：:The stereochemical course of the phospho group transfer catalyzed by mutant (S102C) alkaline phosphatase from Escherichia coli was investigated by using 31P nuclear magnetic resonance spectroscopy. Transphosphorylation from 4-nitrophenyl (Rp)-[16O, 17O, 18O]phosphate to (S)-propane-1,2-diol occurs with overall retenti...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi00413a029
更新日期：1988-06-28 00:00:00
abstract：:The use of derivatives of alpha-thrombin obtained by limited proteolysis, that have only a single peptide bond cleaved, allowed the unequivocal correlation between the change in covalent structure and alteration of the enzymatic properties. beta T-Thrombin contains a single cleavage in the surface loop corresponding t...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi00406a049
更新日期：1988-03-22 00:00:00
abstract：:Kinetic and structural data are presented on the interaction with Torpedo californica acetylcholinesterase (TcAChE) of (+)-huperzine A, a synthetic enantiomer of the anti-Alzheimer drug, (-)-huperzine A, and of its natural homologue (-)-huperzine B. (+)-Huperzine A and (-)-huperzine B bind to the enzyme with dissociat...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi020151+
更新日期：2002-09-03 00:00:00
abstract：:We have measured the temperature dependence of the oxygen-binding isotherms of human and bovine hemoglobin at pH 9.0 in 0.1 M borate buffer. In both hemoglobins the ionization of the Bohr protons is finished at this pH; therefore, their heat does not interfere with the measurements. Two sets of curves have been obtain...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi00227a006
更新日期：1991-04-02 00:00:00
abstract：:Slow conformational changes have been proposed to be responsible for the kinetic positive cooperativity of glucokinase (GK) with glucose. Induced-fit and preexisting equilibrium kinetic models have been previously suggested. In the present study, equilibrium and pre-steady-state fluorescence spectroscopy has been used...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi900374c
更新日期：2009-06-16 00:00:00
abstract：:Rat mucosal-type mast cells of the RBL-2H3 line express a glycoprotein termed the MAst cell Function-associated Antigen (MAFA). When MAFA is clustered by its specific monoclonal antibody G63, secretion normally triggered by aggregating these cells' type I Fcepsilon receptor (FcepsilonRI) is substantially inhibited. Th...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi011566i
更新日期：2002-01-22 00:00:00
abstract：:The mechanisms that control N protein dependent antitermination in phage lambda have counterparts in many eukaryotic systems, including specific regulatory interactions of the antitermination protein with the nascent RNA transcript. Here we describe the specific and nonspecific RNA binding modes of antitermination pro...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi961920q
更新日期：1997-02-11 00:00:00
abstract：:The interactions of Alzheimer's amyloid beta-peptide with cyclodextrins were studied by (1)H NMR: the translational diffusion coefficient of the peptide and chemical shift changes were studied by the presence of variable concentrations of cyclodextrins. For the full-length peptide, Abeta(1-40), the combined results of...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi036254p
更新日期：2004-05-25 00:00:00
abstract：:Blastochloris tepida is a newly described thermophilic purple bacterium containing bacteriochlorophyll b. Using purified light-harvesting 1 reaction center (LH1-RC) core complexes from Blc. tepida, we compared the biochemical, spectroscopic, and thermal denaturation properties of these complexes with those of its meso...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/acs.biochem.0c00192
更新日期：2020-06-30 00:00:00
abstract：:The phosphorelay signal transduction pathway controls sporulation initiation in Bacillus subtilis. Transfer of a phosphoryl group from multiple kinases (KinA and KinB) through a single domain response regulator homologue (Spo0F), a phosphotransferase (Spo0B), and ultimately to a transcriptional regulator, (Spo0A) acti...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi981340o
更新日期：1998-11-24 00:00:00
abstract：:Cathepsin K is a cysteine protease present in human osteoclasts that plays an important role in bone resorption. Cathepsin K is synthesized as an inactive proenzyme and activated under conditions of low pH. Autoproteolytic processing of the N-terminal 99 amino acid propeptide produces the active, mature form of cathep...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi9822271
更新日期：1999-01-19 00:00:00
abstract：:Intrinsic disorder is at the center of biochemical regulation and is particularly overrepresented among the often multifunctional viral proteins. Replication and transcription of the respiratory syncytial virus (RSV) relies on a RNA polymerase complex with a phosphoprotein cofactor P as the structural scaffold, which ...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/acs.biochem.5b01332
更新日期：2016-03-15 00:00:00
abstract：:A detailed structural study of the prokaryotic sodium/galactose transporter (vSGLT) from Vibrio parahaemolyticus using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy reveals stepwise increases in alpha-helicity upon binding of sodium and D-galactose. These increases in helicity correlat...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi025692d
更新日期：2002-06-25 00:00:00
abstract：:The NuoD segment (homologue of mitochondrial 49 kDa subunit) of the proton-translocating NADH:quinone oxidoreductase (complex I/NDH-1) from Escherichia coli is in the hydrophilic domain and bears many highly conserved amino acid residues. The three-dimensional structural model of NDH-1 suggests that the NuoD segment, ...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi501403t
更新日期：2015-01-27 00:00:00
abstract：:Tissue factor pathway inhibitor (TFPI) from different cell lines shows up to 15-fold differences in the ratio of anticoagulant to chromogenic activity. The anticoagulant activity was dependent on the purification procedure used and it was possible to isolate two fractions of recombinant TFPI. Only one of these fractio...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi00107a002
更新日期：1991-10-29 00:00:00
abstract：:Photosystem II catalyzes the light-driven oxidation of water and reduction of plastoquinone in oxygenic photosynthesis. The manganese stabilizing protein (MSP) of photosystem II is an extrinsic subunit that plays an important role in catalytic activity. This subunit can be extracted and re-bound to the photosystem II ...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi9724467
更新日期：1998-04-21 00:00:00
abstract：:Enzymic catalysis proceeds via intermediates formed in the course of substrate conversion. Here, we directly detect key intermediates in thiamin diphosphate (ThDP)-dependent enzymes during catalysis using (1)H NMR spectroscopy. The quantitative analysis of the relative intermediate concentrations allows the determinat...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi034465o
更新日期：2003-07-08 00:00:00
abstract：:RXPA380 (Cbz-PhePsi[PO(2)CH]Pro-Trp-OH) was reported recently as the first highly selective inhibitor of the C-domain of somatic angiotensin-converting enzyme (ACE), able to differentiate the two active sites of somatic ACE by a selectivity factor of more than 3 orders of magnitude. The contribution of each RXPA380 re...
journal_title：Biochemistry
pub_type： 杂志文章
doi：10.1021/bi049504q
更新日期：2004-06-29 00:00:00
