Abstract:
:GSK3β plays an important role in many physiological functions; dysregulated GSK3β is involved in human diseases such as diabetes, cancer, and Alzheimer's disease. This study uses MD simulations to determine the interaction between GSK3β and a peptide derived from GSKIP, a novel GSK3β interacting protein. Results show that GSKIPtide is inlaid in a binding pocket consisting of an α-helix and an extended loop near the carboxy-terminal end. This binding pocket is hydrophobic, and is responsible for the protein-protein interaction of two other GSK3β interacting proteins: FRAT and Axin. The GSKIPtide binding mode is closer to that of AxinGID (in the Axin-GSK3-interacting domain). The single-point mutations of V267G and Y288F in GSK3β differentiate the binding modes between GSK3 and GSKIPtide, AxinGID, and FRATide. The V2677G mutation of GSK3β reduces the GSKIPtide binding affinity by 70% and abolishes the binding affinity with AxinGID, but has no effect on FRATide. However, GSK3β Y288F completely abolishes the FRATide binding without affecting GSKIPtide or AxinGID binding. An analysis of the GSK3β-GSKIPtide complex structure and the X-ray crystal structures of GSK3β-FRATide and GSK3β-AxinGID complexes suggests that the hydroxyl group of Y288 is crucial to maintaining a hydrogen bond network in GSK3β-FRATide. The hydrophobic side chain of V267 maintains the integrity of helix-helix ridge-groove hydrophobic interaction for GSK3β-GSKIPtide and GSK3β-AxinGID. This study simulates these two mutant systems to provide atomic-level evidence of the aforementioned experimental results and validate the wild-type complex structure prediction.
journal_name
Biopolymersjournal_title
Biopolymersauthors
Tang XN,Lo CW,Chuang YC,Chen CT,Sun YC,Hong YR,Yang CNdoi
10.1002/bip.21603subject
Has Abstractpub_date
2011-07-01 00:00:00pages
461-71issue
7eissn
0006-3525issn
1097-0282journal_volume
95pub_type
杂志文章相关文献
BIOPOLYMERS文献大全abstract::We analyzed the CD and uv absorption spectra of 5S RNA from Escherichia coli using the method developed in the preceding paper. The analysis of spectra of 5S RNA at 20 degrees C in 0.1M NaClO4, 2.5 mM Na+ (phosphate), pH 7.0, and 0.5 mM MgSO4 gave 7 +/- 3.6 A.U base pairs, 25 +/- 3.6 G.C base pairs, and 7.5 +/- 3.6 G....
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360310404
更新日期:1991-03-01 00:00:00
abstract::Using high precision densimetric and ultrasonic measurements, we have determined, at 25 degrees C, the apparent molar volumes PhiV and the apparent molar compressibilities PhiK(S) of four nucleic acid duplexes-namely, the DNA duplex, poly(dIdC)poly(dIdC); the RNA duplex, poly(rA)poly(rU); and the two DNA/RNA hybrid du...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/(SICI)1097-0282(19991015)50:5<459::AID-BIP
更新日期:1999-10-15 00:00:00
abstract::The discovery of the prototype delta opioid antagonists TIPP (H-Tyr-Tic-Phe-Phe-OH) and TIP (H-Tyr-Tic-Phe-OH) in 1992 was followed by extensive structure-activity relationship studies, leading to the development of analogues that are of interest as pharmacological tools or as potential therapeutic agents. Stable TIPP...
journal_title:Biopolymers
pub_type: 杂志文章,评审
doi:10.1002/(SICI)1097-0282(1999)51:6<411::AID-BIP4>3.
更新日期:1999-01-01 00:00:00
abstract::The DNA-binding protein HU from Bacillus stearothermophilus (HUBst) is a dimer with a molecular weight of 195 kDa that is capable of bending DNA. An x-ray structure has been determined previously [Tanaka et al. 1984) Nature, vol. 310, pp. 376-381], but no structure could be established for a large part of the supposed...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/(sici)1097-0282(1996)40:5<553::aid-bip13>3
更新日期:1996-01-01 00:00:00
abstract::We applied dynamic light scattering technique on the model system of hen egg lysozyme in salt-free aqueous ethanol solution to study the mechanism of denaturation and aggregation of protein. At low ethanol concentration [0-63% (v/v)], the fast relaxation mode was observed, which was caused by lysozyme molecules in the...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/1097-0282(20011015)59:5<370::AID-BIP1034>3
更新日期:2001-10-15 00:00:00
abstract::Individual ethidium-stained DNA molecules, embedded in an agarose gel made with electrophoresis buffer (0.05 molar salt), are observed using a fluorescence microscope. In the first experiment, open circular 66 kilobase pair (kbp) plasmids, immobilized by agarose fibers threaded through their centers, display entropic ...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360290807
更新日期:1990-07-01 00:00:00
abstract::The thermal conformational transitions of two sonicated samples of schizophyllan were studied in water-dimethylsulfoxide (DMSO) mixtures by high-sensitivity differential scanning calorimetry (DSC). Two transitions were observed over most of the range of solvent compositions. These were assigned to an internal change o...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360280208
更新日期:1989-02-01 00:00:00
abstract::Neurokinins and their receptors are a complex system consisting of at least three endogenous agents--substance P (SP), neurokinin A (NKA), and neurokinin B (NKB)--and their corresponding receptor types, respectively, NK-1, NK-2, and NK-3. Investigations on receptors have been made using sensitive and fairly selective ...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360280111
更新日期:1989-01-01 00:00:00
abstract::The fusion of two stable bilayers likely proceeds through intermediates in which the membrane acquires curvature. The insertion of peptides into the membrane will affect its curvature tendency. Studies with a number of small viral fusion peptides indicate that these peptides promote negative curvature at low concentra...
journal_title:Biopolymers
pub_type: 杂志文章,评审
doi:10.1002/1097-0282(2000)55:5<358::AID-BIP1009>3.0.C
更新日期:2000-01-01 00:00:00
abstract::A comparison of amino acid sequences of yeast Rer2p and Srt1p Z-prenyltransferases shows that the spatial organization of their substrate tunnels agrees with that determined by X-ray for the E. coli undecaprenyl diphosphate synthase (UPPs). The observed trend in the maxima of product length distribution shifted from C...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.20715
更新日期:2007-06-05 00:00:00
abstract::The present study characterizes the unfolding and folding processes of recombinant manganese peroxidase. This enzyme contains five disulfide bonds, two calcium ions, and one heme prosthetic group. Circular dichroism in the far UV was used to monitor global changes of the protein secondary structure, whereas UV-visible...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.10283
更新日期:2003-01-01 00:00:00
abstract::Peptomers are oligomeric molecules composed of both α-amino acids and N-substituted glycine monomers, thus creating a hybrid of peptide and peptoid units. Peptomers have been used in several applications such as antimicrobials, protease inhibitors, and antibody mimics. Despite the considerable promise of peptomers as ...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.22516
更新日期:2014-09-01 00:00:00
abstract::In our continuing series of measurements of the complex index of refraction for representative samples of biological materials, we measured ovalbumin (egg albumin) over the spectral region from 0.130 (76,923 cm(-1)) to 2.50 microm (4000 cm(-1)). Films of ovalbumin suitable for optical analyses were prepared and measur...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.1004
更新日期:2001-01-01 00:00:00
abstract::Software to automate the process of extracting molecular interactions from three-dimensional (3D) structures has been developed that records these as Biomolecular Interaction Network Database (BIND) pairwise interaction records. Full annotation of BIND records is provided through a database processing tool called MMDB...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/1097-0282(2001/2002)61:2<111::AID-BIP10143
更新日期:2001-01-01 00:00:00
abstract::Aromatic stacking and hydrogen bonding between nucleobases are two of the key interactions responsible for stabilization of DNA double-helical structures. The present work aims at defining the specific contributions of these interactions to the stability of individual base pairs in DNA. The two DNA double helices inve...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.20811
更新日期:2007-10-05 00:00:00
abstract::In the first two papers of this series, the tools necessary to evaluate substrate ring deformations were developed, and then the modeling of short amylose fragments (maltotriose and maltopentaose) inside the catalytic site of barley alpha-amylase was performed. In this third paper, this docking has been extended to th...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/(SICI)1097-0282(199912)50:7<751::AID-BIP8>
更新日期:1999-12-01 00:00:00
abstract::Structural formation of segments plays pivotal roles in protein folding and stability, but how the segment influences the structural ensemble remains elusive. We engineered two hybrid proteins by replacing the central helical segment of immunoglobulin G binding domain of streptococcal protein G with an alpha-helix or ...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.20283
更新日期:2005-09-01 00:00:00
abstract::The indirect solvent-induced effect on the free energy of binding of biopolymers is examined within the framework of classical statistical mechanics. We focus specifically on the role of the solute-solvent hydrogen bonding. In particular, we have estimated the first order solvent effect on the indirect interaction bet...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360290604
更新日期:1990-05-01 00:00:00
abstract::Photon correlation spectroscopy has been used to study the translational (D0) and internal dynamics of monodisperse linear and polydisperse superhelical plasmid-DNAs. Scattering vector dependent correlation functions were measured and analyzed with the inverse Laplace transform CONTIN written by S. Provencher. For sca...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360310702
更新日期:1991-06-01 00:00:00
abstract::Short peptides composed of phenylalanine and sequences derived from amyloidogenic peptides have the ability to self-assemble to form nanostructures including hydrogels. The self-assembly of peptides composed of only hydrophobic amino acids and aliphatic protecting groups have not been investigated in detail. We have e...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.23033
更新日期:2017-11-01 00:00:00
abstract::The Electrostatically Driven Monte Carlo (EDMC) method was applied in a study of a decamer of glycine whose conformational behavior is described by the Empirical Conformational Energy Program for Peptides (ECEPP/2) potential energy model. When free neutral end groups were used, it was found that conformations that wer...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360310306
更新日期:1991-02-15 00:00:00
abstract::Spontaneous cortical activity of single neurons is often either dismissed as noise, or is regarded as carrying no functional significance and hence is ignored. Our findings suggest that such concepts should be revised. We explored the coherent population activity of neuronal assemblies in primary sensory area in the a...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.10273
更新日期:2003-03-01 00:00:00
abstract::An increasing number of RNAs are being discovered that perform their functions by undergoing large changes in conformation in response to a variety of cellular signals, including recognition of proteins and small molecular targets, changes in temperature, and RNA synthesis itself. The measurement of NMR residual dipol...
journal_title:Biopolymers
pub_type: 杂志文章,评审
doi:10.1002/bip.20765
更新日期:2007-08-05 00:00:00
abstract::RNA and DNA molecules experience motions on a wide range of time scales, ranging from rapid localized motions to much slower collective motions of entire helical domains. The many functions of RNA in biology very often require this molecule to change its conformation in response to biological signals in the form of sm...
journal_title:Biopolymers
pub_type: 杂志文章,评审
doi:10.1002/bip.20650
更新日期:2007-08-05 00:00:00
abstract::The HPLC retention behavior of three complete single methionine and methionine sulfoxide replacement sets of two 18-mer model peptides and neuropeptide Y (NPY) were investigated. All peptides were prepared by multiple solid-phase peptide synthesis. Plotting the retention time differences between methionine and methion...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/(SICI)1097-0282(199608)39:2%3C207::AID-BIP
更新日期:1996-08-01 00:00:00
abstract::The interhelical interfaces have been examined in seven high-resolution globin chains. The profiles of hydrophobic contact, as measured by the residue solvent-accessible area loss upon folding, have been calculated. The seven globins studied differ in their overall loss of solvent-accessible area upon packing of their...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360320504
更新日期:1992-05-01 00:00:00
abstract::We have determined using NMR the structure of the complex between the third double-stranded RNA-binding domain (dsRBD3) of Drosophila Staufen protein and a RNA stem-loop with optimal binding properties in vitro. This work was designed to understand how dsRBD proteins bind RNA and to investigate the role of Staufen dsR...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/1097-0282(1999)52:4<181::AID-BIP1003>3.0.C
更新日期:1999-01-01 00:00:00
abstract::To investigate the mechanism leading to the reduction in tensile strength of permanent waved human hair, the structure of cross-sections at various depths of permanent waved white human hair was directly analyzed without isolating the cuticle and cortex, using Raman spectroscopy. The beta-sheet and/or random coil cont...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.20646
更新日期:2007-02-15 00:00:00
abstract::Optical melting curves of 22 DNA dumbbells with the 16-base pair duplex sequence 5'-G-C-A-T-C-A-T-C-G-A-T-G-A-T-G-C-3' linked on both ends by single-strand loops of A, or C, sequences (iota = 2, 3, 4, 6, 8, 10, 14). T sequences (iota = 2, 3, 4, 6, 8, 10), and G iota sequences (iota = 2, 4) were measured in phosphate b...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/(SICI)1097-0282(199612)39:6%3C779::AID-BIP
更新日期:1996-12-01 00:00:00
abstract::Pig citrate synthase (PCS) can be used as a model enzyme to gain some insight into the structural basis of protein thermostability. The thermal unfolding characteristics of the specific secondary structure elements within PCS were monitored in detail by following changes in its amide I band components. The result of o...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.10392
更新日期:2003-08-01 00:00:00