Asp746 to glycine change may have a greater influence than Cys751 to serine change in accounting for ligand selectivity between EGFR and HER-2 at the ATP site

Journal of Computer-Aided Molecular Design

Volumn 19, Issue 5, 2005, Pages 287-291

  Kamath, Shantaram A ^a   Buolamwini, John K ^a  

^a UNIVERSITY OF TENNESSEE HEALTH SCIENCE CENTER   (United States)

Author keywords

EGFR; HER 2; Kinase; Molecular dynamics; Selectivity

Indexed keywords

AMINO ACIDS; ENZYMES; LIGANDS;

AMINO ACID RESIDUES; DYNAMICS SIMULATION; EGFR; HER-2; HOMOLOGY MODELING; KINASE; KINASE DOMAINS; RECEPTOR KINASE; SELECTIVITY; SIDE-CHAINS;

MOLECULAR DYNAMICS;

ADENOSINE TRIPHOSPHATE; ARGININE; ASPARTIC ACID; CYSTEINE; EPIDERMAL GROWTH FACTOR RECEPTOR 2; EPIDERMAL GROWTH FACTOR RECEPTOR KINASE; GLUTAMINE; GLYCINE; LIGAND; SERINE; THREONINE;

AMINO ACID SUBSTITUTION; ARTICLE; COMPLEX FORMATION; COMPUTER SIMULATION; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN DOMAIN;

EID: 26644448460     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-005-5083-5     Document Type: Article

References (13)

1. W.J. Fantl D.E. Johnson and L.T. Williams 1993 Ann. Rev. Biochem. 62 453 7688944
2. A. Ullrich and J. Schlessinger 1991 Cell 61 20310.1016/ 0092-8674(90)90801-K
3. K.S. Kolibaba and B.J. Druker 1997 Biochim. Biophys. Acta 1333 F217 9426205
4. S.A. Aaronson 1991 Science 254 1146 1659742
5. S. Menard S.M. Pupa M. Campiglio and E. Tagliabue 2003 Oncogene 22 6570 10.1038/sj.onc.1206779 14528282
6. A.J. Bridges 2001 Chem. Rev. 101 2541 10.1021/cr000250y 11749388
7. J. Stamos M.X. Sliwkowski and C. Eigenbrot 2002 J. Biol. Chem. 277 46,265
8. S. Kamath and J.K. Buolamwini 2003 J. Med. Chem. 46 4657 10.1021/ jm030065n 14561085
9. S. Blencke A. Ullrich and H.J. Daub 2003 Biol. Chem. 278 15,435
10. G. Jones P. Willet R.C. Glen A.R. Leach and R. Taylor 1997 J. Mol. Biol. 267 727 10.1006/jmbi.1996.0897 9126849
11. L. Kale R. Skeel M. Bhandarkar R. Brunner A. Gursoy N. Krawetz J. Phillips A. Shinozaki K. Varadarajan and K. Schulten 1999 J. Comp. Phys. 151 283 10.1006/jcph.1999.6201
12. B.R. Brooks R.E. Bruccoleri B.D. Olafson D.J. States S. Swaminathan and M. Karplus 1983 J. Comp. Chem. 4 187 10.1002/jcc.540040211
13. A.D. MacKerell Jr. D. Bashford M. Bellott R.L. Dunbrack Jr. J.D. Evanseck M.J. Field S. Fischer J. Gao H. Guo S. Ha D. Joseph-McCarthy L. Kuchnir K. Kuczera F.T.K. Lau C. Mattos S. Michnick T. Ngo D.T. Nguyen B. Prodhom W.E. Reiher III B. Roux M. Schlenkrich J.C. Smith R. Stote J. Straub M. Watanabe J. Wiorkiewicz-Kuczera D. Yin and M. Karplus 1998 J. Phys. Chem. B 102 358610.1021/jp973084f