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Reconstruction of the 3D coordinates of α-carbon atoms of proteins from a pair of stereographic figures

✍ Scribed by Yoriko Iwata; Atsushi Kasuya; Schuichi Miyamoto

Publisher
Springer Netherlands
Year
1996
Tongue
English
Weight
845 KB
Volume
10
Category
Article
ISSN
0920-654X

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✦ Synopsis

In an attempt to promptly use the experimentally determined structures of proteins in modeling studies, we have developed the program ReconstCcl to generate the 3D coordinates of a-carbon atoms from a pair of stereographic figures. Calculations of the 3D coordinates were performed by estimating the stereo parameters systematically. Geometrical features of C" traces were used to evaluate the integrity of the calculated structure. The program was applied to four kinds of protein structures to examine the performance. It was found that the root-mean-square deviation of atomic positions between constructed and reference crystal structures ranged from 0.36 to 0.78 A. The range represents a reasonable accuracy and its automatic feature suggests that our approach would be expedient for providing initial structures for protein modeling studies.

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