Topology Prediction Improvement of α-helical Transmembrane Proteins Through Helix-tail Modeling and Multiscale Deep Learning Fusion.

Abstract:

:Transmembrane proteins (TMPs) play important roles in many biological processes, such as cell recognition and communication. Their structures are crucial for revealing complex functions but are hard to obtain. A variety of computational algorithms have been proposed to fill the gap by predicting structures from primary sequences. In this study, we mainly focus on α-helical TMP and develop a multiscale deep learning pipeline, MemBrain 3.0, to improve topology prediction. This new protocol includes two submodules. The first module is transmembrane helix (TMH) prediction, which features the capability of accurately predicting TMH with the tail part through the incorporation of tail modeling. The prediction engine contains a multiscale deep learning model and a dynamic threshold strategy. The deep learning model is comprised of a small-scale residue-based residual neural network and a large-scale entire-sequence-based residual neural network. Dynamic threshold strategy is designed to binarize the raw prediction scores and solve the under-split problem. The second module is orientation prediction, which consists of a support vector machine (SVM) classifier and a new Max-Min assignment (MMA) strategy. One typical merit of MemBrain 3.0 is the decision mode composed of the dynamic threshold strategy and the MMA strategy, which makes it more effective for hard TMHs, such as half-TMH, back-to-back TMH, and long-TMH. Systematic experiments have demonstrated the efficacy of the new model, which is available at: www.csbio.sjtu.edu.cn/bioinf/MemBrain/.

journal_name

J Mol Biol

authors

Feng SH,Zhang WX,Yang J,Yang Y,Shen HB

doi

10.1016/j.jmb.2019.12.007

subject

Has Abstract

pub_date

2020-02-14 00:00:00

pages

1279-1296

issue

4

eissn

0022-2836

issn

1089-8638

pii

S0022-2836(19)30707-7

journal_volume

432

pub_type

杂志文章
  • Solution structure of GDP-tubulin double rings to 3 nm resolution and comparison with microtubules.

    abstract::GDP liganded tubulin, which is inactive in microtubule assembly, polymerizes into rings more readily than the active GTP liganded protein. The structure of double rings made of highly purified GDP-tubulin has been characterized to 3 nm resolution with synchrotron X-ray solution scattering. The scattering profile has c...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1994.1282

    authors: Díaz JF,Pantos E,Bordas J,Andreu JM

    更新日期:1994-04-29 00:00:00

  • Characterization of the heterogeneity and specificity of interpolypeptide interactions in amyloid protofibrils by measurement of site-specific fluorescence anisotropy decay kinetics.

    abstract::The aggregation of proteins often results in highly ordered fibrillar structures. While significant insights have been obtained on structural aspects of amyloid fibrils, little is known about the structures of protofibrils, which are presumed to be the precursors of fibrils. An understanding of the molecular mechanism...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2009.08.053

    authors: Jha A,Udgaonkar JB,Krishnamoorthy G

    更新日期:2009-10-30 00:00:00

  • In vitro analysis of the dominant negative effect of p53 mutants.

    abstract::Missense mutations of the p53 tumour suppressor gene induce the formation of proteins with an altered affinity for DNA. These mutant proteins have either a wild-type or a mutant conformation. It has been established that, on association with wild-type protein, molecules with mutant conformation can drive the wild-type...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1998.1897

    authors: Chène P

    更新日期:1998-08-14 00:00:00

  • Muscle RING-finger protein-1 (MuRF1) as a connector of muscle energy metabolism and protein synthesis.

    abstract::During pathophysiological muscle wasting, a family of ubiquitin ligases, including muscle RING-finger protein-1 (MuRF1), has been proposed to trigger muscle protein degradation via ubiquitination. Here, we characterized skeletal muscles from wild-type (WT) and MuRF1 knockout (KO) mice under amino acid (AA) deprivation...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2007.11.049

    authors: Koyama S,Hata S,Witt CC,Ono Y,Lerche S,Ojima K,Chiba T,Doi N,Kitamura F,Tanaka K,Abe K,Witt SH,Rybin V,Gasch A,Franz T,Labeit S,Sorimachi H

    更新日期:2008-03-07 00:00:00

  • Gelsolin domains 4-6 in active, actin-free conformation identifies sites of regulatory calcium ions.

    abstract::Structural analysis of gelsolin domains 4-6 demonstrates that the two highest-affinity calcium ions that activate the molecule are in domains 5 and 6, one in each. An additional calcium site in domain 4 depends on subsequent actin binding and is seen only in the complex. The uncomplexed structure is primed to bind act...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/s0022-2836(03)00383-8

    authors: Kolappan S,Gooch JT,Weeds AG,McLaughlin PJ

    更新日期:2003-05-23 00:00:00

  • HIV-1 Replication Benefits from the RNA Epitranscriptomic Code.

    abstract::The effects of RNA methylation on HIV-1 replication remain largely unknown. Recent studies have discovered new insights into the effect of 2'-O-methylation and 5-methylcytidine marks on the HIV-1 RNA genome. As so far, HIV-1 benefits from diverse RNA methylations through distinct mechanisms. In this review, we summari...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.jmb.2019.09.021

    authors: Kong W,Rivera-Serrano EE,Neidleman JA,Zhu J

    更新日期:2019-12-06 00:00:00

  • Generation, affinity maturation, and characterization of a human anti-human NKG2D monoclonal antibody with dual antagonistic and agonistic activity.

    abstract::In humans, NKG2D is an activating receptor on natural killer (NK) cells and a costimulatory receptor on certain T cells and plays a central role in mediating immune responses in autoimmune diseases, infectious diseases, and cancer. Monoclonal antibodies that antagonize or agonize immune responses mediated by human NKG...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2008.09.008

    authors: Kwong KY,Baskar S,Zhang H,Mackall CL,Rader C

    更新日期:2008-12-31 00:00:00

  • Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.

    abstract::Many essential biological processes are mediated by complex molecular machines comprising multiple subunits. Knowledge on the architecture of individual subunits and their positions within the overall multimeric complex is key to understanding the molecular mechanisms of macromolecular assemblies. The anaphase-promoti...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2015.08.023

    authors: Cronin NB,Yang J,Zhang Z,Kulkarni K,Chang L,Yamano H,Barford D

    更新日期:2015-10-09 00:00:00

  • Construction of Escherichia coli amber suppressor tRNA genes. III. Determination of tRNA specificity.

    abstract::Using synthetic oligonucleotides, we have constructed a collection of Escherichia coli amber suppressor tRNA genes. In order to determine their specificities, these tRNAs were each used to suppress an amber (UAG) nonsense mutation in the E. coli dihydrofolate reductase gene fol. The mutant proteins were purified and s...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/S0022-2836(05)80258-X

    authors: Normanly J,Kleina LG,Masson JM,Abelson J,Miller JH

    更新日期:1990-06-20 00:00:00

  • Defining the peptide nucleic acids (PNA) length requirement for PNA binding-induced transcription and gene expression.

    abstract::Induction of gene expression has great potential in the treatment of many human diseases. Peptide nucleic acid (PNA) as a novel DNA-binding reagent provides an ideal system to induce gene-specific expression. In our recent studies, we have demonstrated that PNA bound to double-stranded DNA targets and, therefore, gene...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.2001.5109

    authors: Wang G,Jing K,Balczon R,Xu X

    更新日期:2001-11-09 00:00:00

  • Site-specific structural variations accompanying tubular assembly of the HIV-1 capsid protein.

    abstract::The 231-residue capsid (CA) protein of human immunodeficiency virus type 1 (HIV-1) spontaneously self-assembles into tubes with a hexagonal lattice that is believed to mimic the surface lattice of conical capsid cores within intact virions. We report the results of solid-state nuclear magnetic resonance (NMR) measurem...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2013.12.021

    authors: Bayro MJ,Chen B,Yau WM,Tycko R

    更新日期:2014-03-06 00:00:00

  • Determination of the cleavage site of the phage T4 prohead protease in gene product 68. Influence of protein secondary structure on cleavage specificity.

    abstract::The cleavage site of the T4 prohead protease in gene product 68 of bacteriophage T4 has been determined by direct protein sequencing. It is located close to the carboxy-terminal end of a predicted alpha-helix in the sequence Asn-Val-Glu-Ala between the Glu and Ala residues. Secondary structure seems to be more importa...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(85)90138-x

    authors: Keller B,Kellenberger E,Bickle TA,Tsugita A

    更新日期:1985-12-05 00:00:00

  • Disulfide mutants of barnase. II: Changes in structure and local stability identified by hydrogen exchange.

    abstract::The hydrogen exchange behaviour of two stabilised disulfide mutants of barnase has been examined using NMR H/2H exchange measurements. The choice of experimental conditions is crucial in experiments to study the effects of mutations on local and global stability and dynamic behaviour of proteins. If exchange condition...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1995.0569

    authors: Clarke J,Hounslow AM,Fersht AR

    更新日期:1995-10-27 00:00:00

  • Transferrins: iron release from lactoferrin.

    abstract::Iron loss in vitro by the iron scavenger bovine lactoferrin was investigated in acidic media in the presence of three different monoanions (NO(3)(-), Cl(-) and Br(-)) and one dianion (SO(4)(2-)). Holo and monoferric C-site lactoferrins lose iron in acidic media (pH< or =3.5) by a four-step mechanism. The first two ste...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.2000.4101

    authors: Abdallah FB,El Hage Chahine JM

    更新日期:2000-10-20 00:00:00

  • The requirement for mechanical coupling between head and S2 domains in smooth muscle myosin ATPase regulation and its implications for dimeric motor function.

    abstract::A combination of experimental structural data, homology modelling and elastic network normal mode analysis is used to explore how coupled motions between the two myosin heads and the dimerization domain (S2) in smooth muscle myosin II determine the domain movements required to achieve the inhibited state of this ATP-d...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2004.10.084

    authors: Tama F,Feig M,Liu J,Brooks CL 3rd,Taylor KA

    更新日期:2005-01-28 00:00:00

  • Crystal structure of glycosyltrehalose trehalohydrolase from the hyperthermophilic archaeum Sulfolobus solfataricus.

    abstract::The crystal structure of glycosyltrehalose trehalohydrolase from the hyperthermophilic archaeum Sulfolobus solfataricus KM1 has been solved by multiple isomorphous replacement. The enzyme is an alpha-amylase (family 13) with unique exo-amylolytic activity for glycosyltrehalosides. It cleaves the alpha-1,4 glycosidic b...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.2000.3977

    authors: Feese MD,Kato Y,Tamada T,Kato M,Komeda T,Miura Y,Hirose M,Hondo K,Kobayashi K,Kuroki R

    更新日期:2000-08-11 00:00:00

  • A complex RNA-cleaving DNAzyme that can efficiently cleave a pyrimidine-pyrimidine junction.

    abstract::Several RNA-cleaving deoxyribozymes (DNAzymes) have been reported for efficient cleavage of purine-containing junctions, but none is able to efficiently cleave pyrimidine-pyrimidine (Pyr-Pyr) junctions. We hypothesize that a stronger Pyr-Pyr cleavage activity requires larger DNAzymes with complex structures that are d...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2010.05.047

    authors: Lam JC,Withers JB,Li Y

    更新日期:2010-07-23 00:00:00

  • Structural, biochemical, and in vivo characterization of the first virally encoded cyclophilin from the Mimivirus.

    abstract::Although multiple viruses utilize host cell cyclophilins, including severe acute respiratory syndrome (SARS) and human immunodeficiency virus type-1(HIV-1), their role in infection is poorly understood. To help elucidate these roles, we have characterized the first virally encoded cyclophilin (mimicyp) derived from th...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2007.08.051

    authors: Thai V,Renesto P,Fowler CA,Brown DJ,Davis T,Gu W,Pollock DD,Kern D,Raoult D,Eisenmesser EZ

    更新日期:2008-04-18 00:00:00

  • Structural plasticity and enzyme action: crystal structures of mycobacterium tuberculosis peptidyl-tRNA hydrolase.

    abstract::Peptidyl-tRNA hydrolase cleaves the ester bond between tRNA and the attached peptide in peptidyl-tRNA in order to avoid the toxicity resulting from its accumulation and to free the tRNA available for further rounds in protein synthesis. The structure of the enzyme from Mycobacterium tuberculosis has been determined in...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2007.06.053

    authors: Selvaraj M,Roy S,Singh NS,Sangeetha R,Varshney U,Vijayan M

    更新日期:2007-09-07 00:00:00

  • A kinetic analysis of the nucleotide-induced allosteric transitions in a single-ring mutant of GroEL.

    abstract::The function of GroE requires a complex system of allosteric communication driven by protein-nucleotide interactions. These rearrangements couple the binding and hydrolysis of ATP to an overall reaction cycle in which substrate proteins are bound, encapsulated and released. Positive cooperativity with respect to ATP b...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2004.03.010

    authors: Poso D,Clarke AR,Burston SG

    更新日期:2004-05-14 00:00:00

  • Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin.

    abstract::Crystal structures of P1 Gly, Val, Leu and Phe bovine pancreatic trypsin inhibitor (BPTI) variants in complex with two serine proteinases, bovine trypsin and chymotrypsin, have been determined. The association constants for the four mutants with the two enzymes show that the enlargement of the volume of the P1 residue...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2003.08.059

    authors: Helland R,Czapinska H,Leiros I,Olufsen M,Otlewski J,Smalås AO

    更新日期:2003-10-31 00:00:00

  • Elucidating Relayed Proton Transfer through a His-Trp-His Triad of a Transmembrane Proton Channel by Solid-State NMR.

    abstract::Proton transfer through membrane-bound ion channels is mediated by both water and polar residues of proteins, but the detailed molecular mechanism is challenging to determine. The tetrameric influenza A and B virus M2 proteins form canonical proton channels that use an HxxxW motif for proton selectivity and gating. Th...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2019.05.009

    authors: Kwon B,Roos M,Mandala VS,Shcherbakov AA,Hong M

    更新日期:2019-06-28 00:00:00

  • Concerning the axial rotational flexibility of the Fab regions of immunoglobulin G.

    abstract::By electron microscopy, we have observed immunocomplexes with both negative stain and in amorphous ice using monoclonal antibodies directed against one of the 24 subunits of scorpion haemocyanin. A copy of this subunit occurs at each of the corners of the square-shaped haemocyanin molecule. Three distinct orientations...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(89)90484-1

    authors: Wade RH,Taveau JC,Lamy JN

    更新日期:1989-03-20 00:00:00

  • Variable electrostatic interaction between DNA and coat protein in filamentous bacteriophage assembly.

    abstract::A restriction fragment carrying the major coat protein gene (gene VIII) was excised from the DNA of the class I filamentous bacteriophage fd, which infects Escherichia coli. This fragment was cloned into the expression plasmid pKK223-3, where it came under the control of the tac promoter, generating plasmid pKf8P. Bac...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(88)90363-4

    authors: Rowitch DH,Hunter GJ,Perham RN

    更新日期:1988-12-05 00:00:00

  • Influenza Hemifusion Phenotype Depends on Membrane Context: Differences in Cell-Cell and Virus-Cell Fusion.

    abstract::Influenza viral entry into the host cell cytoplasm is accomplished by a process of membrane fusion mediated by the viral hemagglutinin protein. Hemagglutinin acts in a pH-triggered fashion, inserting a short fusion peptide into the host membrane followed by refolding of a coiled-coil structure to draw the viral envelo...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2018.01.006

    authors: Zawada KE,Okamoto K,Kasson PM

    更新日期:2018-03-02 00:00:00

  • Titration calculations of foot-and-mouth disease virus capsids and their stabilities as a function of pH.

    abstract::Foot-and-mouth disease virus (FMDV), a non-enveloped picornavirus, is sensitive to acidic conditions. At pH values below 7 the icosahedral virus capsid, formed from 60 copies of a protomer containing four polypeptides (VP1 to 4), dissociates into 12 pentamers, releasing the viral RNA. Evidence suggests that this acid ...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1997.1418

    authors: van Vlijmen HW,Curry S,Schaefer M,Karplus M

    更新日期:1998-01-16 00:00:00

  • Beyond plasma membrane targeting: role of the MA domain of Gag in retroviral genome encapsidation.

    abstract::The MA (matrix) domain of the retroviral Gag polyprotein plays several critical roles during virus assembly. Although best known for targeting the Gag polyprotein to the inner leaflet of the plasma membrane for virus budding, recent studies have revealed that MA also contributes to selective packaging of the genomic R...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.jmb.2011.04.072

    authors: Parent LJ,Gudleski N

    更新日期:2011-07-22 00:00:00

  • Conformation of the coat protein of filamentous bacteriophage Pf1 determined by neutron diffraction from magnetically oriented gels of specifically deuterated virions.

    abstract::The structure of filamentous bacteriophage Pf1 has been studied using neutron diffraction from magnetically oriented gels of native and valine-deuterated phage. Neutron diffraction intensities were measured to approximately 8 A resolution along the equator and first six layer-lines, and differences due to the deuterat...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(88)90387-7

    authors: Stark W,Glucksman MJ,Makowski L

    更新日期:1988-01-05 00:00:00

  • Expressed gene clusters associated with cellular sensitivity and resistance towards anti-viral and anti-proliferative actions of interferon.

    abstract::Interferons (IFN) are multi-functional proteins that induce a large number of genes which mediate many biological processes including host defense, cell growth control, signaling, and metabolism. Bioinformatics analysis of the 3'-untranslated regions of IFN-stimulated genes (ISGs) showed that the AU-rich elements (ARE...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2004.07.065

    authors: Khabar KS,Al-Haj L,Al-Zoghaibi F,Marie M,Dhalla M,Polyak SJ,Williams BR

    更新日期:2004-09-17 00:00:00

  • Real-Time Single-Molecule Kinetic Analyses of AIP1-Enhanced Actin Filament Severing in the Presence of Cofilin.

    abstract::Rearrangement of actin filaments by polymerization, depolymerization, and severing is important for cell locomotion, membrane trafficking, and many other cellular functions. Cofilin and actin-interacting protein 1 (AIP1; also known as WDR1) are evolutionally conserved proteins that cooperatively sever actin filaments....

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2018.11.010

    authors: Hayakawa K,Sekiguchi C,Sokabe M,Ono S,Tatsumi H

    更新日期:2019-01-18 00:00:00