Molecular dynamics simulation of a phospholipase A2-substrate complex.

[1]  K. H. Kalk,et al.  Active site and catalytic mechanism of phospholipase A2 , 1981, Nature.

[2]  K. H. Kalk,et al.  X-ray structure of phospholipase A2 complexed with a substrate-derived inhibitor , 1990, Nature.

[3]  M. Wells The mechanism of interfacial activation of phospholipase A2. , 1974, Biochemistry.

[4]  K. H. Kalk,et al.  Role of the N-terminus in the interaction of pancreatic phospholipase A2 with aggregated substrates. Properties and crystal structure of transaminated phospholipase A2. , 1983, Biochemistry.

[5]  D J Osguthorpe,et al.  Filtering molecular dynamics trajectories to reveal low-frequency collective motions: phospholipase A2. , 1989, Journal of molecular biology.

[6]  L. M. Deenen,et al.  THE SUBSTRATE SPECIFICITY OF PHOSPHOLIPASE A. , 1963 .

[7]  R. Pickersgill,et al.  Modification of the stability of phospholipase A2 by charge engineering , 1991, FEBS letters.

[8]  G J Williams,et al.  The Protein Data Bank: a computer-based archival file for macromolecular structures. , 1977, Journal of molecular biology.

[9]  R. Kaptein,et al.  Two-dimensional 1H-NMR studies of phospholipase-A2-inhibitor complexes bound to a micellar lipid-water interface. , 1991, European journal of biochemistry.

[10]  Y. Shiratori,et al.  Parametrization of calcium binding site in proteins and molecular dynamics simulation on phospholipase A2 , 1991 .

[11]  M. Gelb,et al.  Interfacial catalysis: the mechanism of phospholipase A2 , 1990, Science.

[12]  G. de Haas,et al.  Histidine at the active site of phospholipase A2. , 1974, Biochemistry.

[13]  R. Huber,et al.  The calcium binding sites in human annexin V by crystal structure analysis at 2.0 A resolution Implications for membrane binding and calcium channel activity , 1990, FEBS letters.

[14]  M. Egmond,et al.  Localization of the second calcium ion binding site in porcine and equine phospholipase A2. , 1983, Biochemistry.

[15]  O. Kuipers,et al.  Evidence for the involvement of tyrosine-69 in the control of stereospecificity of porcine pancreatic phospholipase A2. , 1989, Protein engineering.

[16]  R. Pickersgill,et al.  Changes in activity of porcine phospholipase A2 brought about by charge engineering of a major structural element to alter stability. , 1991, Protein engineering.

[17]  T. A. Jones,et al.  A graphics model building and refinement system for macromolecules , 1978 .

[18]  K. H. Kalk,et al.  Crystal structure of bovine pancreatic phospholipase A2 covalently inhibited by p-bromo-phenacyl-bromide. , 1988, Journal of molecular biology.

[19]  G. Ciccotti,et al.  Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .

[20]  S. Brunie,et al.  Molecular dynamics simulations of phospholipases A2. , 1990, Protein engineering.

[21]  R. Kaptein,et al.  1H NMR studies of bovine and porcine phospholipase A2: assignment of aromatic resonances and evidence for a conformational equilibrium in solution. , 1989, Biochemistry.

[22]  W. Hol,et al.  Structure of bovine pancreatic phospholipase A2 at 1.7A resolution. , 1981, Journal of molecular biology.

[23]  L. M. Deenen,et al.  The stereospecific action of phospholipase A on β-lecithins , 1963 .

[24]  H. Hauser,et al.  Preferred conformation and molecular packing of phosphatidylethanolamine and phosphatidylcholine. , 1981, Biochimica et biophysica acta.

[25]  P. Franken,et al.  The importance of glycine-30 for enzymatic activity of phospholipase A2. , 1991, Biochimica et biophysica acta.

[26]  M. Gelb,et al.  Crystal structure of bee-venom phospholipase A2 in a complex with a transition-state analogue , 1990, Science.

[27]  D. Osguthorpe,et al.  Inhibition of phospholipase A2; a molecular recognition study , 1988 .

[28]  F. Pattus,et al.  Regulation of the interaction of pancreatic phospholipase A2 with lipid-water interfaces by Ca2+ ions: a monolayer study. , 1979, Biochemistry.

[29]  J. Drenth,et al.  Methylation of histidine-48 in pancreatic phospholipase A2. Role of histidine and calcium ion in the catalytic mechanism. , 1980, Biochemistry.

[30]  H. Verheij,et al.  Glutamic acid 71 and aspartic acid 66 control the binding of the second calcium ion in porcine pancreatic phospholipase A2. , 1989, European journal of biochemistry.