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Volumn 23, Issue 1, 1995, Pages 12-31

Zinc binding in proteins and solution: A simple but accurate nonbonded representation

Author keywords

carbonic anhydrase; carboxypeptidase A; electrostatics; molecular dynamics; zinc ion

Indexed keywords

CARBONATE DEHYDRATASE; CARBOXYPEPTIDASE A; ZINC;

EID: 0029115487     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.340230104     Document Type: Article
Times cited : (326)

References (108)
  • 24
  • 27
    • 0019947107 scopus 로고
    • Ab initio molecular orbital study on the effects of zinc ion, its ligands and ionic amino acid residues for proton transfer energetics between Glu 270 and Zn coordinated water molecules in carboxypeptidase A.
    • (1982) J. Theor. Biol. , vol.96 , pp. 473-493
    • Nakagawa, S.1    Umeyama, H.2
  • 33
    • 0000671477 scopus 로고
    • Metal coordination, H‐bond network formation, and protein‐solvent interactions in native and complexed human carbonic anhydrase I: A molecular mechanics study.
    • (1989) J. Am. Chem. Soc. , vol.111 , pp. 4075-4081
    • Vedani, A.1    Huhta, D.W.2    Jacober, S.P.3
  • 36
    • 0025306177 scopus 로고
    • Evidence from x‐ray absorption fine structure spectroscopy for significant differences in the structure of concanavalin A in solution and in the crystal.
    • (1990) Biochemistry , vol.29 , pp. 3599-3603
    • Lin, S.1    Stern, E.A.2    Kalb, A.J.3    Zhang, Y.4
  • 52
    • 0022358609 scopus 로고
    • Lone‐pair directionality in hydrogen bond potential functions for molecular mechanics calculations: The inhibition of human carbonic anhydrase II by sulfonamides.
    • (1985) J. Am. Chem. Soc. , vol.107 , pp. 7653-7658
    • Vedani, A.1    Dunitz, J.D.2
  • 61
    • 0344796204 scopus 로고
    • Ion‐water interaction potentials derived from free energy perturbation simulations.
    • (1990) J. Phys. Chem. , vol.94 , pp. 8021-8024
    • Åqvist, J.1
  • 66
  • 72
    • 0001539065 scopus 로고
    • Computer simulations of the dielectric properties of water: Studies of the simple point charge and transferrable intermolecular potential models.
    • (1989) J. Chem. Phys. , vol.91 , pp. 1242-1251
    • Alper, H.E.1    Levy, R.M.2
  • 75
    • 0024250301 scopus 로고
    • Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison.
    • (1988) Proteins , vol.4 , pp. 148-156
    • Brunger, A.T.1    Karplus, M.2
  • 77
    • 0001658242 scopus 로고
    • An empirical examination of potential‐energy minimization using the well determined structure of the protein crambin.
    • (1986) J. Am. Chem. Soc. , vol.108 , pp. 7163-7172
    • Whitlow, M.1    Teeter, M.M.2
  • 84
  • 86
    • 84994996440 scopus 로고
    • Gmelin Institute, Handbuch der Anorganischen Chemie 8 Auflage. Berlin: Springer, Ger. 720
    • (1956)
  • 90
    • 0000813640 scopus 로고
    • Variable‐pressure kinetic and equilibrium study of monocomplex formation of copper(II) and zinc (II) with 2‐chloro‐1,10‐phenanthroline in aqueous solution.
    • (1989) Inorg. Chem. , vol.28 , pp. 3024-3028
    • Laurenczy, G.1    Ducommun, Y.2    Merbach, A.E.3
  • 93
    • 0025008125 scopus 로고
    • Temperature dependence of dynamics of hydrated myoglobin. Comparison of force field calculations with neutron scattering data.
    • (1990) J. Mol. Biol. , vol.215 , pp. 439-455
    • Loncharich, R.J.1    Brooks, B.R.2
  • 101
    • 0024688008 scopus 로고
    • The carbonic anhydrases: Widening perspectives on their evolution, expression and function.
    • (1989) Bioessays , vol.10 , pp. 186-192
    • Tashian, R.E.1
  • 102
    • 0025026406 scopus 로고
    • Insights into the function of the zinc hydroxide‐Thr199‐Glu106 hydrogen bonding network in carbonic anhydrases.
    • (1990) J. Mol. Biol. , vol.214 , pp. 799-802
    • Merz, K.M.1
  • 106
    • 0001563899 scopus 로고
    • Free energy of ionic hydration: Analysis of a thermodynamic integration technique to evaluate free energy differences by molecular dynamics simulations.
    • (1988) J. Chem. Phys. , vol.89 , pp. 5876-5886
    • Straatsma, T.P.1    Berendsen, H.J.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.