REFINED CRYSTAL-STRUCTURE OF LIVER ALCOHOL-DEHYDROGENASE NADH COMPLEX AT 1.8-ANGSTROM RESOLUTION

被引：87
作者：
AL-KARADAGHI, S
CEDERGRENZEPPEZAUER, ES
HOVMOLLER, S
PETRATOS, K
TERRY, H
WILSON, KS
机构：
[1] UNIV STOCKHOLM, ARRHENIUS LABS NAT SCI, DEPT STRUCT CHEM, S-10691 STOCKHOLM, SWEDEN
[2] DESY, EUROPEAN MOLEC BIOL LAB, D-22603 HAMBURG, GERMANY
来源：
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY | 1994年 / 50卷
关键词：
D O I：
10.1107/S0907444994005263
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
The crystal structure of the ternary complex of horse liver alcohol dehydrogenase (LADH) with the co-enzyme NADH and inhibitor dimethyl sulfoxide (DMSO) has been refined by simulated annealing with molecular dynamics and restrained positional refinement using the program X-PLOR. The two subunits of the enzyme were refined independently. The space group was P1 with cell dimensions a = 51.8, b = 44.5, c = 94.6 Angstrom, alpha = 104.8, beta = 102.3 and gamma = 70.6 degrees. The resulting crystallographic R factor is 17.3% for 62440 unique reflections in the resolution range 10.0-1.8 Angstrom. A total of 472 ordered solvent molecules were localized in the structure. An analysis of secondary-structure elements, solvent content and NADH binding is presented.
引用
收藏
页码：793 / 807
页数：15
相关论文
共 39 条
[11]  
CEDERGRENZEPPEZ.E, 1986, ZINC ENZYMES, P393
[12]   CRYSTAL-STRUCTURE DETERMINATION OF REDUCED NICOTINAMIDE ADENINE-DINUCLEOTIDE COMPLEX WITH HORSE LIVER ALCOHOL-DEHYDROGENASE MAINTAINED IN ITS APO CONFORMATION BY ZINC-BOUND IMIDAZOLE [J].
CEDERGRENZEPPEZAUER, E .
BIOCHEMISTRY, 1983, 22 (25) :5761-5772
[13]  
COLONNACESARI F, 1986, J BIOL CHEM, V261, P5273
[14]   3-DIMENSIONAL STRUCTURE OF HORSE LIVER ALCOHOL-DEHYDROGENASE AT 2.4 A RESOLUTION [J].
EKLUND, H ;
NORDSTROM, B ;
ZEPPEZAUER, E ;
SODERLUND, G ;
OHLSSON, I ;
BOIWE, T ;
SODERBERG, BO ;
TAPIA, O ;
BRANDEN, CI ;
AKESON, A .
JOURNAL OF MOLECULAR BIOLOGY, 1976, 102 (01) :27-&
[15]   CRYSTALLOGRAPHIC INVESTIGATIONS OF NICOTINAMIDE ADENINE-DINUCLEOTIDE BINDING TO HORSE LIVER ALCOHOL-DEHYDROGENASE [J].
EKLUND, H ;
SAMAMA, JP ;
JONES, TA .
BIOCHEMISTRY, 1984, 23 (25) :5982-5996
[16]  
EKLUND H, 1981, J MOL BIOL, V146, P561, DOI 10.1016/0022-2836(81)90047-4
[17]  
EKLUND H, 1986, ZINC ENZYMES, P393
[18]  
EKLUND H, 1983, ZINC ENZYMES, P125
[19]   TREATMENT OF NEGATIVE INTENSITY OBSERVATIONS [J].
FRENCH, S ;
WILSON, K .
ACTA CRYSTALLOGRAPHICA SECTION A, 1978, 34 (JUL) :517-525
[20]   ANALYSIS OF THE STERIC STRAIN IN THE POLYPEPTIDE BACKBONE OF PROTEIN MOLECULES [J].
HERZBERG, O ;
MOULT, J .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 1991, 11 (03) :223-229
1234