A NEW APPROACH TO THE RAPID-DETERMINATION OF PROTEIN SIDE-CHAIN CONFORMATIONS

被引：284

作者：

TUFFERY, P ^{[1
]}

ETCHEBEST, C ^{[1
]}

HAZOUT, S ^{[1
]}

LAVERY, R ^{[1
]}

机构：

[1] INST BIOL MOLEC,BIOCHIM THEOR LAB,CNRS,URA 77,F-75005 PARIS,FRANCE

来源：

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 1991年 / 8卷 / 06期

关键词：

D O I：

10.1080/07391102.1991.10507882

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：

Two efficient algorithms have been developed which allow amino acid side chain conformations to be optimized rapidly for a given peptide backbone conformation. Both these approaches are based on the assumption that each side chain can be represented by a small number of rotameric states. These states have been obtained by a dynamic cluster analysis of a large data base of known crystallographic structures. Successful applications of these algorithms to the prediction of known protein conformations are presented.

引用

页码：1267 / 1289

页数：23

共 14 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]

BHAT TN, 1979, INT J PEPT PROT RES, V13, P170

[3] PREDICTION OF THE FOLDING OF SHORT POLYPEPTIDE SEGMENTS BY UNIFORM CONFORMATIONAL SAMPLING [J].

BRUCCOLERI, RE ;

KARPLUS, M .

BIOPOLYMERS, 1987, 26 (01) :137-168

[4]

DIDAY E, 1972, INTRO DYNAMIC CLUSTE

[5]

Goldberg DE, 1989, GENETIC ALGORITHMS S

[6] STRUCTURE AND REFINEMENT OF PENICILLOPEPSIN AT 1.8-A RESOLUTION [J].

JAMES, MNG ;

SIELECKI, AR .

JOURNAL OF MOLECULAR BIOLOGY, 1983, 163 (02) :299-361

[7] CONFORMATION OF AMINO-ACID SIDE-CHAINS IN PROTEINS [J].

JANIN, J ;

WODAK, S ;

LEVITT, M ;

MAIGRET, B .

JOURNAL OF MOLECULAR BIOLOGY, 1978, 125 (03) :357-386

[8] THE FLEXIBILITY OF THE NUCLEIC-ACIDS .2. THE CALCULATION OF INTERNAL ENERGY AND APPLICATIONS TO MONONUCLEOTIDE REPEAT DNA [J].

LAVERY, R ;

SKLENAR, H ;

ZAKRZEWSKA, K ;

PULLMAN, B .

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 1986, 3 (05) :989-1014

[9] A GENERAL-APPROACH TO THE OPTIMIZATION OF THE CONFORMATION OF RING MOLECULES WITH AN APPLICATION TO VALINOMYCIN [J].

LAVERY, R ;

PARKER, I ;

KENDRICK, J .

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 1986, 4 (03) :443-462

[10] ANALYSIS OF THE RELATIONSHIP BETWEEN SIDE-CHAIN CONFORMATION AND SECONDARY STRUCTURE IN GLOBULAR-PROTEINS [J].

MCGREGOR, MJ ;

ISLAM, SA ;

STERNBERG, MJE .

JOURNAL OF MOLECULAR BIOLOGY, 1987, 198 (02) :295-310

← 1 2 →