Molecular dynamics simulations of the conformational changes of the glutamate receptor ligand-binding core in the presence of glutamate and kainate

Proteins: Structure, Function and Genetics

Volumn 44, Issue 4, 2001, Pages 460-469

  Mendieta, Jess ^a,b   Ramrez, Galo ^a   Gago, Federico ^b  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b UNIVERSITY OF ALCALÁ   (Spain)

Author keywords

Activated molecular dynamics; Glutamate receptors; Molecular modeling

Indexed keywords

GLUTAMATE RECEPTOR; GLUTAMATE RECEPTOR AGONIST; GLUTAMIC ACID; KAINIC ACID;

ARTICLE; BINDING SITE; CHANNEL GATING; CONFORMATIONAL TRANSITION; LIGAND BINDING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; SIMULATION; STRUCTURE ANALYSIS;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; GLUTAMIC ACID; KAINIC ACID; LIGANDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; RECEPTORS, GLUTAMATE; THERMODYNAMICS; TIME FACTORS;

BACTERIA (MICROORGANISMS);

EID: 0035451726     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.1111     Document Type: Article

References (38)

1. Molecular diversity and functions of glutamate receptor
2. Unraveling the desing of glutamate-gated ion channels
3. Identification of a site in glutamate receptor subunits that controls calcium permeability
4. Structural determinants of ion flow through recombinant glutamate receptor channels
5. Structural determinants of barium permeation and rectification in non-NMDA glutamate receptor channels
6. A single tryptophan on M2 of glutamate receptor channels confers high permeability to divalent cations
7. Structure-activity relationship in the development of excitatory amino acid receptor agonists and competitive antagonists
8. Cloned glutamate receptors
9. Evidence for a tetrameric structure of recombinant NMDA receptors
10. The tetrameric structure of a glutamate receptor channel
11. Transmembrane topology of two kainate receptor subunits revealed by N-glycosylation
12. Topology profile for a glutamate receptor: Three transmembrane domains and a channel-lining reentrant membrane loop
13. Molecular dissection of the agonist binding site of a AMPA receptor
14. A family of glutamate receptor genes: Evidence for the formation of heteromultimeric receptors with distinct channel properties
15. Structural, funtional, and evolutionary regulation among extracellular solute-binding receptors of bacteria
16. The ligand-binding domain in metabotropic glutamate receptors is related to bacterial periplasmic binding proteins
17. Sequence and expression of a metabotropic glutamate receptor
18. Cloning of a putative glutamate receptor: A low affinity kainate binding subunit
19. Atomic structures of periplasmic binding proteins and the high-affinity active transport systems in bacteria
20. Three-dimensional structure of the periplasmic lisine/arginine/ornitine-binding protein with and without a ligand
21. Crystallographic evidence of a large ligand-induced hinge-twist motion between the two domains of maltodextrin binding protein involved in active transport and chemotaxis
22. Structure/function analysis of the periplasmic histidine-binding protein
23. Probing the ligand binding domain of the GluR2 receptor by proteolysis and deletion mutagenesis defines domains boundaries and yields a crystallizable construct
24. Structure of a glutamate receptor ligand-binding core in complex with kainate
25. The structure of glutaminebinding protein complexed with glutamine at 1.94 A resolution: Comparisons with other amino acid binding proteins
26. Physiological and pathophysiological roles of excitatory amino acids during central nervous system development
27. The crystal struture of glutamine binding protein from Escherichia coli
28. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules
29. Structural mechanisms for domain movements in proteins
30. Apolactofenin structure demonstrates ligandinduced conformational changes in transferrins
31. Domain closure in lactoferrin. Two hinges produce a see-saw motion between alternative closed-packed interfaces
32. Flap opening in HIV-1 protease simulated by "activated" molecular dynamics
33. Spontaneous openings of the NMDA receptor channels in cultured rat hippocampal neurons
34. How well can molecular modelling predict the crystal structure: The case of the ligand-binding domain of glutamate receptors
35. N-terminal domains in the NR2 subunit control desensitization of NMDA receptors
36. Glycine-independent NMDA receptors desensitization: Localization of structural determinants
37. NMDAR channel segments forming the extracellular vestibule inferred from the accessibility of substituted cysteines