H-1-NMR STUDY ON THE CONFORMATION OF BACITRACIN-A IN AQUEOUS-SOLUTION

被引：15

作者：

KOBAYASHI, N

TAKENOUCHI, T

ENDO, S

MUNEKATA, E

机构：

[1] UNIV TSUKUBA, INST APPL BIOCHEM, TSUKUBA 305, JAPAN

[2] TAKEDA CHEM IND LTD, TSUKUBA RES LABS, TSUKUBA 305, JAPAN

来源：

FEBS LETTERS | 1992年 / 305卷 / 02期

关键词：

BACITRACIN-A; H-1; NMR; ENERGY MINIMIZATION; MOLECULAR DYNAMICS; 3 DIMENSIONAL STRUCTURE;

D O I：

10.1016/0014-5793(92)80874-G

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：

The conformation of bacitracin A, a widely used cyclic dodecapeptide antibiotic in aqueous solution. has been investigated using 500 MHz H-1 NMR and molecular modeling. Findings revealed that a region (residues 1-6) is folded over the cyclic ring, resulting in metal coordination sites, a thiazoline ring, and Glu4 and His10 being proximate to each other.

引用

收藏

页码：105 / 109

页数：5

相关论文

共 18 条

[1] PRACTICAL ASPECTS OF TWO-DIMENSIONAL TRANSVERSE NOE SPECTROSCOPY [J].

BAX, A ;

DAVIS, DG .

JOURNAL OF MAGNETIC RESONANCE, 1985, 63 (01) :207-213

[2] CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].

BROOKS, BR ;

BRUCCOLERI, RE ;

OLAFSON, BD ;

STATES, DJ ;

SWAMINATHAN, S ;

KARPLUS, M .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217

[3] THE 3-DIMENSIONAL STRUCTURE OF ALPHA-1-PUROTHIONIN IN SOLUTION - COMBINED USE OF NUCLEAR-MAGNETIC-RESONANCE, DISTANCE GEOMETRY AND RESTRAINED MOLECULAR-DYNAMICS [J].

CLORE, GM ;

NILGES, M ;

SUKUMARAN, DK ;

BRUNGER, AT ;

KARPLUS, M ;

GRONENBORN, AM .

EMBO JOURNAL, 1986, 5 (10) :2729-2735

[4] ASSIGNMENT OF COMPLEX H-1-NMR SPECTRA VIA TWO-DIMENSIONAL HOMONUCLEAR HARTMANN-HAHN SPECTROSCOPY [J].

DAVIS, DG ;

BAX, A .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (09) :2820-2821

[5] PARTIAL HYDROLYSIS STUDIES WITH BACITRACIN-A [J].

HAUSMANN, W ;

WEISIGER, JR ;

CRAIG, LC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1955, 77 (03) :723-731

[6] DETERMINATION OF THE COMPLETE 3-DIMENSIONAL STRUCTURE OF THE TRYPSIN-INHIBITOR FROM SQUASH SEEDS IN AQUEOUS-SOLUTION BY NUCLEAR MAGNETIC-RESONANCE AND A COMBINATION OF DISTANCE GEOMETRY AND DYNAMICAL SIMULATED ANNEALING [J].

HOLAK, TA ;

GONDOL, D ;

OTLEWSKI, J ;

WILUSZ, T .

JOURNAL OF MOLECULAR BIOLOGY, 1989, 210 (03) :635-648

[7] DYNAMICS OF PROTEINS - ELEMENTS AND FUNCTION [J].

KARPLUS, M ;

MCCAMMON, JA .

ANNUAL REVIEW OF BIOCHEMISTRY, 1983, 52 :263-300

[8] PEPTIDE CONFORMATIONS .46. CONFORMATIONAL-ANALYSIS OF A SUPERPOTENT CYTOPROTECTIVE CYCLIC SOMATOSTATIN ANALOG [J].

KESSLER, H ;

BATS, JW ;

GRIESINGER, C ;

KOLL, S ;

WILL, M ;

WAGNER, K .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (04) :1033-1049

[9] TWO-DIMENSIONAL CHEMICAL-EXCHANGE AND CROSS-RELAXATION SPECTROSCOPY OF COUPLED NUCLEAR SPINS [J].

MACURA, S ;

HUANG, Y ;

SUTER, D ;

ERNST, RR .

JOURNAL OF MAGNETIC RESONANCE, 1981, 43 (02) :259-281

[10] DREIDING - A GENERIC FORCE-FIELD FOR MOLECULAR SIMULATIONS [J].

MAYO, SL ;

OLAFSON, BD ;

GODDARD, WA .

JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (26) :8897-8909