Key interactions in the immunoglobulin-like structure of apo-neocarzinostatin: Evidence from nuclear magnetic resonance relaxation data and molecular dynamics simulations

Protein Science

Volumn 10, Issue 11, 2001, Pages 2228-2240

  Izadi Pruneyre, Nadia ^a   Quiniou, Éric ^a   Blouquit, Yves ^a   Perez, Javier ^b   Minard, Philippe ^c   Desmadril, Michel ^c   Mispelter, Joël ^a   Adjadj, Élisabeth ^a  

^a INSTITUT CURIE   (France)

^b SYNCHROTRON SOLEIL   (France)

^c Centre Universitaire   (France)

Author keywords

sandwich; 13C NMR relaxation; Backbone dynamics; Greek key; Molecular dynamics; Neocarzinostatin

Indexed keywords

ANTINEOPLASTIC AGENT; APOZINOSTATIN; CARRIER PROTEIN;

AQUEOUS SOLUTION; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; DRUG STRUCTURE; MEASUREMENT; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOTION; NONHUMAN; PARAMETER; PRIORITY JOURNAL; PROTEIN FOLDING; SIMULATION; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING;

ANTIBIOTICS, ANTINEOPLASTIC; APOPROTEINS; BINDING SITES; ESCHERICHIA COLI; IMMUNOGLOBULINS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; ZINOSTATIN;

EID: 0034775192     PISSN: 09618368     EISSN: None     Source Type: Journal    
DOI: 10.1110/ps.12201     Document Type: Article

References (47)

1. Proton NMR studies of apo-neocarzinostatin from Streptomyces carzinostaticus. Sequence-specific assignment and secondary structure
2. Three dimensional solution structure of apo-neocarzinostatin from Streptomyces carzinostaticus determined by NMR spectroscopy
3. The seven-stranded β-sandwich structure of apo-neocarzinostatin as compared to the immunoglobulin domain
4. The Protein Data Bank: A computer-based archival file for macromolecular structures
5. Charmm: A program for macromolecular energy minimization and dynamics calculations
6. Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison
7. Backbone dynamics of homologous fibronectin type III cell adhesion domains from fibronectin and tenascin
8. A 500 ps MD simulation study of interleukin-1 beta in water. Correlation with nuclear magnetic resonance spectroscopy and crystallography
9. 13C NMR relaxation data
10. 15N NMR relaxation studies of the FK506 binding protein: Backbone dynamics of the uncomplexed receptor
11. Deviations from the simple two-parameter model-free approach to the interpretation of nitrogen-15 nuclear magnetic relaxation of proteins
12. 15N NMR: Comparisons with X-ray data for Fab
13. 15N NMR assignments and solution conformation of apokedarcidin
14. 15N NMR relaxation measurements with a molecular dynamics simulation: Backbone dynamics of the glucocorticoid receptor DNA-binding domain
15. 15N NMR relaxation
16. Three-dimensional solution structure of apo-neocarzinostatin
17. Conservation of folding and stability within a protein family: The tyrosine corner as an evolutionary cul-de-sac
18. The folding of an immunoglobulin-like Greek key protein is defined by a common-core nucleus and regions constrained by topology
19. Comparison of the hemocyanin β-sandwich with other Greek key β-sandwichs: Possible importance of the "β-zipper" in protein structure and folding
20. The tyrosine corner: A feature of most Greek key β-sandwich proteins
21. Reinvestigation of the proteolytic activity of neocarzinostatin
22. Roles of chromophore and apo-protein in neocarzinostatin action
23. Protein dynamics from NMR
24. Crystal structure of neocarzinostatin, an antitumor protein-chromophore complex
25. 13C alpha nuclear spin relaxation
26. 13C NMR relaxation analysis
27. Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity
28. Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 2. Analysis of experimental results
29. Backbone dynamics of Escherichia coli ribonuclease HI: Correlation with structure and function in an active enzyme
30. Protein dynamics
31. Simple and accurate determination of global tau(R) in proteins using (13)C or (15)N relaxation data
32. 13C NMR methine relaxation at natural abundance
33. Probing molecular motion by NMR
34. Accuracy and precision of NMR relaxation experiments and MD simulations for characterizing protein dynamics
35. 15N NMR relaxation measurements on human interleukin-4
36. Numerical-integration of cartesian equations of motion of a system with constraints-molecular dynamics of N-alkanes
37. The amino acid sequence of actinoxanthin apoprotein deduced from the base sequence of the gene
38. A test of the model-free formulas. Effects of anisotropic rotational diffusion and dimerization
39. Solution structure of the antitumor antibiotic neocarzinostatin, a chromophore-protein complex
40. Supramolecular neocarzinostatin complex
41. Crystal structure of apo-neocarzinostatin at 0.15-nm resolution
42. Crystal structure analysis of auromomycin apoprotein (macromomycin) shows importance of protein side chains to chromophore binding selectivity
43. Barstar has a highly dynamic hydrophobic core: Evidence from molecular dynamics simulations and nuclear magnetic resonance relaxation data
44. C1027 chromophore, a potent new enediyne antitumor antibiotic, induces sequence-specific double-strand DNA cleavage
45. 15N-NMR relaxation analysis and molecular dynamics simulation: Examination of dynamic models
46. 13Cα carbons