Literature DB >> 8312469

A systematic method for studying the spatial distribution of water molecules around nucleic acid bases.

B Schneider1, D M Cohen, L Schleifer, A R Srinivasan, W K Olson, H M Berman.   

Abstract

A new method to analyze the distribution of water molecules around the bases in DNA is presented. This method relies on the notion of a "hydrated building block," which represents the joint observed hydration around all bases of a particular type, in structures of a particular conformation type. The hydrated building blocks were constructed using atomic coordinates from 40 structures contained in the Nucleic Acid Database. Pseudoelectron densities were calculated for water molecules in each hydrated building block using standard crystallographic procedures. The electron densities were fitted to obtain "average building blocks," which represent bases with waters only at average or probable positions. Both types of building blocks were used to construct models of hydrated DNA oligomers. The essential features of the solvent structure around d(CGCGAATTCGCG)2 in the B form and d(CGCGCG)2 in the Z form were reproduced.

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Year:  1993        PMID: 8312469      PMCID: PMC1225971          DOI: 10.1016/S0006-3495(93)81306-7

Source DB:  PubMed          Journal:  Biophys J        ISSN: 0006-3495            Impact factor:   4.033


  49 in total

1.  Crystallographic study of one turn of G/C-rich B-DNA.

Authors:  U Heinemann; C Alings
Journal:  J Mol Biol       Date:  1989-11-20       Impact factor: 5.469

2.  The crystal structure of d(GTACGTAC) at 2.25 A resolution: are the A-DNA's always unwound approximately 10 degrees at the C-G steps?

Authors:  F Takusagawa
Journal:  J Biomol Struct Dyn       Date:  1990-02

3.  Molecular structure of an A-DNA decamer d(ACCGGCCGGT).

Authors:  C A Frederick; G J Quigley; M K Teng; M Coll; G A Van der Marel; J H Van Boom; A Rich; A H Wang
Journal:  Eur J Biochem       Date:  1989-05-01

4.  A systematic study of patterns of hydration in nucleic acids:(I) guanine and cytosine.

Authors:  H M Berman; A Sowri; S Ginell; D Beveridge
Journal:  J Biomol Struct Dyn       Date:  1988-04

5.  Ordered water structure in an A-DNA octamer at 1.7 A resolution.

Authors:  O Kennard; W B Cruse; J Nachman; T Prange; Z Shakked; D Rabinovich
Journal:  J Biomol Struct Dyn       Date:  1986-02

6.  Methylation of the EcoRI recognition site does not alter DNA conformation: the crystal structure of d(CGCGAm6ATTCGCG) at 2.0-A resolution.

Authors:  C A Frederick; G J Quigley; G A van der Marel; J H van Boom; A H Wang; A Rich
Journal:  J Biol Chem       Date:  1988-11-25       Impact factor: 5.157

7.  Molecular structure of deoxycytidyl-3'-methylphosphonate (RP) 5'-deoxyguanidine, d[Cp(CH3)G]. A neutral dinucleotide with Watson-Crick base pairing and a right handed helical twist.

Authors:  F Han; W Watt; D J Duchamp; L Callahan; F J Kézdy; K Agarwal
Journal:  Nucleic Acids Res       Date:  1990-05-11       Impact factor: 16.971

8.  Re-refinement of the B-dodecamer d(CGCGAATTCGCG) with a comparative analysis of the solvent in it and in the Z-hexamer d(5BrCG5BrCG5BrCG).

Authors:  E Westhof
Journal:  J Biomol Struct Dyn       Date:  1987-12

9.  Crystal and molecular structure of the ammonium salt of the dinucleoside monophosphate d(CpG).

Authors:  B Ramakrishnan; M A Viswamitra
Journal:  J Biomol Struct Dyn       Date:  1988-12

10.  Crystal structure of a Z-DNA fragment containing thymine/2-aminoadenine base pairs.

Authors:  M Coll; A H Wang; G A van der Marel; J H van Boom; A Rich
Journal:  J Biomol Struct Dyn       Date:  1986-10
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  22 in total

1.  3DNA: a software package for the analysis, rebuilding and visualization of three-dimensional nucleic acid structures.

Authors:  Xiang-Jun Lu; Wilma K Olson
Journal:  Nucleic Acids Res       Date:  2003-09-01       Impact factor: 16.971

2.  RNA conformational classes.

Authors:  Bohdan Schneider; Zdenek Morávek; Helen M Berman
Journal:  Nucleic Acids Res       Date:  2004-03-11       Impact factor: 16.971

3.  Studies of base pair sequence effects on DNA solvation based on all-atom molecular dynamics simulations.

Authors:  Surjit B Dixit; Mihaly Mezei; David L Beveridge
Journal:  J Biosci       Date:  2012-07       Impact factor: 1.826

4.  Modeling the hydration layer around proteins: HyPred.

Authors:  Jouko J Virtanen; Lee Makowski; Tobin R Sosnick; Karl F Freed
Journal:  Biophys J       Date:  2010-09-08       Impact factor: 4.033

Review 5.  Molecular modeling of nucleic acid structure.

Authors:  T E Cheatham; B R Brooks; P A Kollman
Journal:  Curr Protoc Nucleic Acid Chem       Date:  2001-11

6.  Sugar radical formation by a proton coupled hole transfer in 2'-deoxyguanosine radical cation (2'-dG*+): a theoretical treatment.

Authors:  Anil Kumar; Michael D Sevilla
Journal:  J Phys Chem B       Date:  2009-10-08       Impact factor: 2.991

7.  Hydration of nucleic acid fragments: comparison of theory and experiment for high-resolution crystal structures of RNA, DNA, and DNA-drug complexes.

Authors:  G Hummer; A E García; D M Soumpasis
Journal:  Biophys J       Date:  1995-05       Impact factor: 4.033

8.  Hydration of the phosphate group in double-helical DNA.

Authors:  B Schneider; K Patel; H M Berman
Journal:  Biophys J       Date:  1998-11       Impact factor: 4.033

9.  An analysis of the relationship between hydration and protein-DNA interactions.

Authors:  J Woda; B Schneider; K Patel; K Mistry; H M Berman
Journal:  Biophys J       Date:  1998-11       Impact factor: 4.033

10.  A 5-nanosecond molecular dynamics trajectory for B-DNA: analysis of structure, motions, and solvation.

Authors:  M A Young; G Ravishanker; D L Beveridge
Journal:  Biophys J       Date:  1997-11       Impact factor: 4.033

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