3dSS: 3D structural superposition

被引:103
作者
Sumathi, K.
Ananthalakshmi, P.
Roshan, M. N. A. Md.
Sekar, K. [1 ]
机构
[1] Indian Inst Sci, Bioinformat Ctr, Bangalore 560012, Karnataka, India
[2] Indian Inst Sci, Supercomp Educ & Res Ctr, Bangalore 560012, Karnataka, India
关键词
D O I
10.1093/nar/gkl036
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
3dSS is a web-based interactive computing server, primarily designed to aid researchers, to superpose two or several 3D protein structures. In addition, the server can be effectively used to find the invariant and common water molecules present in the superposed homologous protein structures. The molecular visualization tool RASMOL is interfaced with the server to visualize the superposed 3D structures with the water molecules ( invariant or common) in the client machine. Furthermore, an option is provided to save the superposed 3D atomic coordinates in the client machine. To perform the above, users need to enter Protein Data Bank (PDB)-id(s) or upload the atomic coordinates in PDB format. This server uses a locally maintained PDB anonymous FTP server that is being updated weekly. This program can be accessed through our Bioinformatics web server at the URL http://cluster.physics.iisc.ernet.in/3dss/ or http://10.188.1.15/3dss/.
引用
收藏
页码:W128 / W132
页数:5
相关论文
共 26 条
[1]   PROTEIN DATA BANK - COMPUTER-BASED ARCHIVAL FILE FOR MACROMOLECULAR STRUCTURES [J].
BERNSTEIN, FC ;
KOETZLE, TF ;
WILLIAMS, GJB ;
MEYER, EF ;
BRICE, MD ;
RODGERS, JR ;
KENNARD, O ;
SHIMANOUCHI, T ;
TASUMI, M .
JOURNAL OF MOLECULAR BIOLOGY, 1977, 112 (03) :535-542
[2]   Hydration, mobility and accessibility of lysozyme: structures of a pH 6.5 orthorhombic form and its low-humidity variant and a comparative study involving 20 crystallographically independent molecules [J].
Biswal, BK ;
Sukumar, N ;
Vijayan, M .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2000, 56 :1110-1119
[3]   ON THE MULTIPLE SIMULTANEOUS SUPERPOSITION OF MOLECULAR-STRUCTURES BY RIGID BODY TRANSFORMATIONS [J].
DIAMOND, R .
PROTEIN SCIENCE, 1992, 1 (10) :1279-1287
[4]   SOLVATION ENERGY IN PROTEIN FOLDING AND BINDING [J].
EISENBERG, D ;
MCLACHLAN, AD .
NATURE, 1986, 319 (6050) :199-203
[5]   DISCUSSION OF SOLUTION FOR BEST ROTATION TO RELATE 2 SETS OF VECTORS [J].
KABSCH, W .
ACTA CRYSTALLOGRAPHICA SECTION A, 1978, 34 (SEP) :827-828
[6]  
Kaplan W, 2001, Brief Bioinform, V2, P195, DOI 10.1093/bib/2.2.195
[7]   AN ALGORITHM FOR THE SIMULTANEOUS SUPERPOSITION OF A STRUCTURAL SERIES [J].
KEARSLEY, SK .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (10) :1187-1192
[8]   WATER-DEPENDENT DOMAIN MOTION AND FLEXIBILITY IN RIBONUCLEASE-A AND THE INVARIANT FEATURES IN ITS HYDRATION SHELL - AN X-RAY STUDY OF 2 LOW-HUMIDITY CRYSTAL FORMS OF THE ENZYME [J].
KISHAN, KVR ;
CHANDRA, NR ;
SUDARSANAKUMAR, C ;
SUGUNA, K ;
VIJAYAN, M .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1995, 51 :703-710
[9]  
Koradi R., 1996, J MOL GRAPHICS, V14, P29
[10]   Secondary-structure matching (SSM), a new tool for fast protein structure alignment in three dimensions [J].
Krissinel, E ;
Henrick, K .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2004, 60 :2256-2268