The structure of the CD3ζζ transmembrane dimer in lipid bilayers

Biochimica et Biophysica Acta - Biomembranes

Volumn 1838, Issue 3, 2014, Pages 739-746

  Sharma, Satyan ^a   Lensink, Marc F ^b   Juffer, André H ^a  

^a UNIVERSITY OF OULU   (Finland)

^b CNRS   (France)

Author keywords

CD3 transmembrane domain; Molecular dynamics; T cell receptor; TCR CD3 complex

Indexed keywords

ASPARTIC ACID; CD3 ZETA ZETA CHAIN; CYSTEINE; DIMER; MEMBRANE PROTEIN; T LYMPHOCYTE RECEPTOR; TYROSINE; UNCLASSIFIED DRUG;

ARTICLE; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; DISULFIDE BOND; HYDROGEN BOND; LIPID BILAYER; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR STABILITY; PRIORITY JOURNAL; PROTEIN DOMAIN; SIGNAL TRANSDUCTION; STRUCTURE ANALYSIS; SURFACE CHARGE;

CD3ΖΖ TRANSMEMBRANE DOMAIN; MOLECULAR DYNAMICS; T CELL RECEPTOR; TCR-CD3 COMPLEX;

ANTIGENS, CD3; CELL MEMBRANE; HUMANS; LIPID BILAYERS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN MULTIMERIZATION;

EID: 84891509436     PISSN: 00052736     EISSN: 18792642     Source Type: Journal    
DOI: 10.1016/j.bbamem.2013.12.001     Document Type: Article

References (39)

1. J.E. Smith-Garvin, G.A. Koretzky, and M.S. Jordan T cell activation Annu. Rev. Immunol. 27 2009 551 589
2. M.E. Call, and K.W. Wucherpfennig Molecular mechanisms for the assembly of the T cell receptor-CD3 complex Mol. Immunol. 40 2004 1295 1305
3. M.G. Rudolph, R.L. Stanfield, and I.A. Wilson How TCRs bind MHCs, peptides, and coreceptors Annu. Rev. Immunol. 24 2006 419 466
4. S. Minguet, and W.W.A. Schamel A permissive geometry model for TCR-CD3 activation Trends Biochem. Sci. 33 2008 51 57
5. S.E. Levin, and A. Weiss Twisting tails exposed: the evidence for TCR conformational change J. Exp. Med. 201 2005 489 492
6. M.S. Kuhns, M.M. Davis, and K.C. Garcia Deconstructing the form and function of the TCR/CD3 complex Immunity 24 2006 133 139
7. M.E. Call, J. Pyrdol, M. Wiedmann, and K.W. Wucherpfennig The organizing principle in the formation of the T cell receptor-CD3 complex Cell 111 2002 967 979
8. K.W. Wucherpfennig, E. Gagnon, M.J. Call, E.S. Huseby, and M.E. Call Structural biology of the T-cell receptor: insights into receptor assembly, ligand recognition, and initiation of signaling Cold Spring Harb. Perspect. Biol. 2 2009 a005140
9. J.A. Gosse, A. Wagenknecht-Wiesner, D. Holowka, and B. Baird Transmembrane sequences are determinants of immunoreceptor signaling J. Immunol. 175 2005 2123 2131
10. J. Feng, D. Garrity, M.E. Call, H. Moffett, and K.W. Wucherpfennig Convergence on a distinctive assembly mechanism by unrelated families of activating immune receptors Immunity 22 2005 427 438
11. M.E. Call, and K.W. Wucherpfennig Common themes in the assembly and architecture of activating immune receptors Nat. Rev. Immunol. 11 2007 841 850
12. M.E. Call, and K.W. Wucherpfennig The T cell receptor: critical role of the membrane environment in receptor assembly and function Annu. Rev. Immunol. 23 2005 101 125
13. C. Geisler, J. Kuhlmann, T. Plesner, and B. Rubin Failure to synthesize the human T-cell CD3-zeta chain and its consequence for the T-cell receptor-CD3 complex expression Scand. J. Immunol. 30 1989 191 197
14. L. Bolliger, and B. Johansson Identification and functional characterization of the zeta-chain dimerization motif for TCR surface expression J. Immunol. 163 1999 3867 3876
15. M.E. Call, J.R. Schnell, X. Chenqi, R.A. Lutz, J.J. Chou, and K.W. Wucherpfennig The structure of the ζζ transmembrane dimer reveals features essential for its assembly with the T cell receptor Cell 127 2006 355 368
16. T. Rutledge, P. Cosson, J.S. Manolios, N. Bonifacino, and R.D. Klausner Transmembrane helical interactions: zeta chain dimerization and functional association with the t cell antigen receptor EMBO J. 11 1992 3245 3254
17. S.J. Singer The structure and insertion of integral proteins in membranes Annu. Rev. Cell Biol. 6 1990 247 296
18. C. Kandt, W.L. Ash, and D.P. Tieleman Setting up and running molecular dynamics simulations of membrane proteins Methods 41 2007 475 488
19. B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation J. Chem. Theory Comput. 4 2008 435 447
20. C. Oostenbrink, A. Villa, A.E. Mark, and W.F. van Gunsteren A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53a5 and 53a6 J. Comput. Chem. 25 2004 1656 1657
21. O. Berger, O. Edholm, and F. Jähnig Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature Biophys. J. 72 1997 2002 2013
22. M.F. Lensink, C. Govaerts, and J.M. Ruysschaert Identification of specific lipid-binding sites in integral membrane proteins J. Biol. Chem. 285 2010 10519 10526
23. B. Hess, H. Bekker, H.J.C. Berendsen, and J.G.E.M. Fraaije LINCS: a linear constraint solver for molecular simulations J. Comput. Chem. 18 1997 1463 1472
24. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, and J. Hermans Interaction models for water in relation to protein hydration B. Pullman, Intermolecular Forces 1981 Reidel Dordrecht 331 342
25. S. Miyamoto, and P.A. Kollman SETTLE: an analytical version of the SHAKE and RATTLE algorithms for rigid water models J. Comput. Chem. 13 1992 952 962
26. M. Parrinello, and A. Rahman Polymorphic transitions in single crystals: a new molecular dynamics method J. Appl. Phys. 52 1981 7182
27. S. Nosé A unified formulation of the constant temperature molecular dynamics methods J. Chem. Phys. 81 1984 44734 44742
28. W.G. Hoover Canonical dynamics: equilibrium phase-space distributions Phys. Rev. A 31 1985 1695 1697
29. U. Essmann, L. Perera, M.L. Berkowitz, T. Darden, H. Lee, and L.G. Pedersen A smooth particle mesh Ewald potential J. Chem. Phys. 103 1995 8577 8592
30. W. Kabsch, and C. Sander Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features Biopolymers 22 1983 2577 2637
31. J.M. Cuthbertson, P.J. Bond, and M.S. Sansom Transmembrane helix-helix interactions: comparative simulations of the glycophorin a dimer Biochemistry 45 2006 14298 14310
32. E.A. Cino, W.-Y. Choy, and M. Karttunen Comparison of secondary structure formation using 10 different force fields in microsecond molecular dynamics simulations J. Chem. Theory Comput. 8 2012 2725 2740
33. M.J. Niesen, S. Bhattacharya, and N. Vaidehi The role of conformational ensembles in ligand recognition in G-protein coupled receptors J. Am. Chem. Soc. 133 2011 13197 13204
34. C. Poojari, and B. Strodel Stability of transmembrane amyloid β-peptide and membrane integrity tested by molecular modeling of site-specific Aβ42 mutations PLoS ONE 8 2013 e78399
35. K. Berka, M. Paloncýová, P. Anzenbacher, and M. Otyepka Behavior of human cytochromes P450 on lipid membranes J. Phys. Chem. B 117 2013 11556 11564
36. S. Piana, and P. Carloni Conformational flexibility of the catalytic asp dyad in HIV-1 protease: an ab initio study on the free enzyme Proteins 39 2000 26 36
37. R. Friedman, and A. Caflisch The protonation state of the catalytic aspartates in plasmepsin II FEBS Lett. 581 2007 4120 4124
38. S. Fuller-Espie, P.H. Towler, D.L. Wiest, I. Tiejen, and L.M. Spain Transmembrane polar residues of TCR beta chain are required for signal transduction Int. Immunol. 10 1998 923 933
39. N. Sal-Man, D. Gerber, I. Bloch, and Y. Shai Specificity in transmembrane helix-helix interactions mediated by aromatic residues J. Biol. Chem. 282 2007 19753 19761