Molecular modeling of the prekallikrein structure provides insights into high-molecular-weight kininogen binding and zymogen activation

Journal of Thrombosis and Haemostasis

Volumn 5, Issue 12, 2007, Pages 2461-2466

  Hooley, E ^a   McEwan, P A ^a   Emsley, Jonas ^a  

^a UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

Apple domain; High molecular weight kininogen; Molecular model; Plasma prekallikrein; Zymogen activation

Indexed keywords

ARGININE; BLOOD CLOTTING FACTOR 11; ENZYME PRECURSOR; GLYCINE; HIGH MOLECULAR WEIGHT KININOGEN; LYSINE; PREKALLIKREIN; PROLINE CARBOXYPEPTIDASE; SERINE PROTEINASE;

ARTICLE; CARBOXY TERMINAL SEQUENCE; COMPUTER PROGRAM; ENZYME ACTIVATION; ENZYME SUBSTRATE; GENE MUTATION; HUMAN; LIGAND BINDING; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN DOMAIN; STRUCTURAL HOMOLOGY;

AMINO ACID MOTIFS; BINDING SITES; CARBOXYPEPTIDASES; CRYSTALLOGRAPHY, X-RAY; ENZYME ACTIVATION; FACTOR XI; HUMANS; IMAGING, THREE-DIMENSIONAL; KININOGEN, HIGH-MOLECULAR-WEIGHT; LIGANDS; MODELS, MOLECULAR; MUTATION; PREKALLIKREIN; PROLINE; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; SUBSTRATE SPECIFICITY; SURFACE PROPERTIES; TYROSINE;

EID: 36349032259     PISSN: 15387933     EISSN: 15387836     Source Type: Journal    
DOI: 10.1111/j.1538-7836.2007.02792.x     Document Type: Article

References (33)

1. Colman RW. Are hemostasis and thrombosis two sides of the same coin? J Exp Med 2006; 203: 493-5.
2. Renne T, Pozgajova M, Gruner S, Schuh K, Pauer HU, Burfeind P, Gailani D, Nieswandt B. Defective thrombus formation in mice lacking coagulation factor XII. J Exp Med 2005; 202: 271-81.
3. Wang X, Cheng Q, Xu L, Feuerstein GZ, Hsu MY, Smith PL, Seiffert DA, Schumacher WA, Ogletree ML, Gailani D. Effects of factor IX or factor XI deficiency on ferric chloride-induced carotid artery occlusion in mice. J Thromb Haemost 2005; 3: 695-702.
4. Harris MG, Exner T, Rickard KA, Kronenberg H. Multiple cerebral thrombosis in Fletcher factor (prekallikrein) deficiency: A case report. Am J Hematol 1985; 19: 387-93.
5. Govers-Riemslag JW, Smid M, Cooper JA, Bauer KA, Rosenberg RD, Hack CE, Hamulyak K, Spronk HM, Miller GJ, Ten Cate H. The plasma kallikrein-kinin system and risk of cardiovascular disease in men. J Thromb Haemost 2007; 5: 1896-903.
6. Kaplan AP, Joseph K, Silverberg M. Pathways for bradykinin formation and inflammatory disease. J Allergy Clin Immunol 2002; 109: 195-209.
7. Colman RW, Pixley RA, Najamunnisa S, Yan W, Wang J, Mazar A, McCrae K. Binding of high molecular weight kininogen to human endothelial cells is mediated via a site within domains 2 and 3 of the urokinase receptor. J Clin Invest 1997; 100: 1481-7.
8. Griffin JH, Cochrane CG. Mechanisms for the involvement of high molecular weight kininogen in surface-dependent reactions of Hageman factor. Proc Natl Acad Sci U S A 1976; 73: 2554-8.
9. Shariat-Madar Z, Mahdi F, Schmaier AH. Identification and characterisation of prolylcarboxypeptidase as an endothelial cell prekallikrein activator. J Biol Chem 2002; 277: 17962-9.
10. Motta G, Rojkjaer R, Hasan AAK, Cines DB, Shmaier AH. High molecular weight kininogen regulates prekallikrein assembly and activation on endothelial cells: A novel mechanism for contact activation. Blood 1998; 91: 516-28.
11. Shariat-Madar Z, Mahdi F, Schmaier AH. Recombinant prolylcarboxypeptidase activates plasma prekallikrein. Blood 2004; 103: 4554-61.
12. Bouma BN, Griffin JH. Human blood coagulation factor XI. Purification, properties, and mechanism of activation by activated factor XII. J Biol Chem 1977; 252: 6432-7.
13. Fujikawa K, Chung DW, Hendrickson LE, Davie EW. Amino acid sequence of human factor XI, a blood coagulation factor with four tandem repeats that are highly homologous with plasma prekallikrein. Biochemistry 1986; 25: 2417-24.
14. Papagrigoriou E, McEwan PA, Walsh PN, Emsley J. Crystal structure of the factor XI zymogen reveals a pathway for transactivation. Nat Struct Mol Biol 2006; 13: 557-8.
15. Schwede T, Kopp J, Guex N, Peitsch MC. SWISS-MODEL: An automated protein homology-modeling server. Nucleic Acids Res 2003; 31: 3381-5.
16. Brunger AT, Adams PD, Clore GM, DeLano WL, Gros P, Grosse-Kunstleve RW, Jiang JS, Kuszewski J, Nilges M, Pannu NS, Read RJ, Rice LM, Simonson T, Warren GL. Crystallography and NMR system: A new software suite for macromolecular structure determination. Acta Crystallogr D Biol Crystallogr 1998; 54: 905-21.
17. Higgins D, Thompson J, Gibson T. CLUSTAL W: Improving the senstivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties ang weight matrix choice. Nucleic Acids Res 1994; 22: 4673-80.
18. Nicholls A, Sharp KA, Honig B. Protein Folding and Association: Insights from the interfacial and thermodynamic properties of hydrocarbons. Proteins 1991; 11: 281-96.
19. Mahdi F, Shariat-Madar Z, Schmaier AH. The relative priority of prekallikrein and factors XI/XIa assembly on cultured endothelial cells. J Biol Chem 2003; 278: 43983-90.
20. McMullen BA, Fujikawa K, Davie EW. Location of the disulfide bonds in human plasma prekallikrein: The presence of four novel apple domains in the amino-terminal portion of the molecule. Biochemistry 1991; 30: 2050-6.
21. Vogel R, Kaufmann J, Chung DW, Kellermann J, Muller-Esterl W. Mapping of the prekallikrein-binding site of human H-kininogen by ligand screening of lambda gt11 expression libraries. Mimicking of the predicted binding site by anti-idiotypic antibodies. J Biol Chem 1990; 265: 12494-502.
22. Herwald H, Jahnen-Dechent W, Alla SA, Hock J, Bouma BN, Muller-Esterl W. Mapping of the high molecular weight kininogen binding site of prekallikrein. J Biol Chem 1993; 268: 14527-35.
23. Renne T, Sugiyama A, Gailani D, Jahnen-Dechent W, Walter U, Muller-Esterl W. Fine mapping of the H-kininogen binding site in plasma prekallikrein apple domain 2. Int Immunopharmacol 2002; 2: 1867-73.
24. Scarsdale JN, Harris RB. Solution phase conformation studies of the prekallikrein binding domain of high molecular weight kininogen. J Protein Chem 1990; 9: 647-59.
25. Renne T, Dedio J, Meijers JC, Chung D, Muller-Esterl W. Mapping of the discontinuous H-kininogen binding site of plasma prekallikrein. Evidence for a critical role of apple domain-2. J Biol Chem 1999; 274: 25777-84.
26. Colman RW, Wachtfogel YT, Kucich U, Weinbaum G, Hahn S, Pixley RA, Scott CF, de Agostini A, Burger D, Schapira M. Effect of cleavage of the heavy chain of human plasma kallikrein on its functional properties. Blood 1985; 65: 311-8.
27. Katsuda I, Maruyama F, Ezaki K, Sawamura T, Ichihara Y. A new type of plasma prekallikrein deficiency associated with homozygosity for Gly104Arg and Asn124Ser in apple domain 2 of the heavy-chain region. Eur J Haematol 2007; 79: 59-68.
28. Herwald H, Renne T, Meijers JC, Chung DW, Page JD, Colman RW, Muller-Esterl W. Mapping of the discontinuous kininogen binding site of prekallikrein. A distal binding segment is located in the heavy chain domain A4. J Biol Chem 1996; 271: 13061-7.
29. Baglia FA, Jameson BA, Walsh PN. Identification and characterization of a binding site for platelets in the Apple 3 domain of coagulation factor XI. J Biol Chem 1995; 270: 6734-40.
30. Ho DH, Badellino K, Baglia FA, Walsh PN. A binding site for heparin in the apple 3 domain of factor XI. J Biol Chem 1998; 273: 16382-90.
31. Baglia FA, Walsh PN. A binding site for thrombin in the apple 1 domain of factor XI. J Biol Chem 1996; 271: 3652-8.
32. Tang J, Yu CL, Williams SR, Springman E, Jeffery D, Sprengeler PA, Estevez A, Sampang J, Shrader W, Spencer J, Young W, McGrath M, Katz BA. Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein. J Biol Chem 2005; 280: 41077-89.
33. Tans G, Rosing J, Berrettini M, Lammle B, Griffin JH. Autoactivation of human plasma prekallikrein. J Biol Chem 1987; 262: 11308-14.