Quantitative structural rearrangement of HIV-1 reverse transcriptase on binding to non-nucleoside inhibitors

被引:8
作者
Lawtrakul, L
Beyer, A
Hannongbua, S
Wolschann, P
机构
[1] Thammasat Univ, SIIT, Dept Common & Grad Studies, Pathum Thani 12121, Thailand
[2] Res Inst Mol Pathol, A-1030 Vienna, Austria
[3] Kasetsart Univ, Fac Sci, Dept Chem, Bangkok 10900, Thailand
[4] Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
来源
MONATSHEFTE FUR CHEMIE | 2004年 / 135卷 / 08期
关键词
HIV-1 reverse transcriptase; non-nucleoside inhibitors; protein-ligand interactions;
D O I
10.1007/s00706-004-0172-z
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The crystal structures of HIV-1 reverse transcriptase (RT) and some of its inhibitor complexes have been compared quantitatively with respect to backbone and side chain dihedral angles. Furthermore distances between inhibitor molecules and surrounding amino acids have been analyzed in detail. The calculation of the conformation for all structures allows us to determine quantitative structural changes of HIV-1 RT on binding to NNIs or to RNA/DNA.
引用
收藏
页码:1033 / 1046
页数:14
相关论文
共 40 条
  • [1] The Protein Data Bank
    Berman, HM
    Westbrook, J
    Feng, Z
    Gilliland, G
    Bhat, TN
    Weissig, H
    Shindyalov, IN
    Bourne, PE
    [J]. NUCLEIC ACIDS RESEARCH, 2000, 28 (01) : 235 - 242
  • [2] 2-amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1
    Chan, JH
    Hong, JS
    Hunter, RN
    Orr, GF
    Cowan, JR
    Sherman, DB
    Sparks, SM
    Reitter, BE
    Andrews, CW
    Hazen, RJ
    St Clair, M
    Boone, LR
    Ferris, RG
    Creech, KL
    Roberts, GB
    Short, SA
    Weaver, K
    Ott, RJ
    Ren, JS
    Hopkins, A
    Stuart, DI
    Stammers, DK
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2001, 44 (12) : 1866 - 1882
  • [3] Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant
    Das, K
    Ding, JP
    Hsiou, Y
    Clark, AD
    Moereels, H
    Koymans, L
    Andries, K
    Pauwels, R
    Janssen, PAJ
    Boyer, PL
    Clark, P
    Smith, RH
    Smith, MBK
    Michejda, CJ
    Hughes, SH
    Arnold, E
    [J]. JOURNAL OF MOLECULAR BIOLOGY, 1996, 264 (05) : 1085 - 1100
  • [4] The role of non-nucleoside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection
    De Clercq, E
    [J]. ANTIVIRAL RESEARCH, 1998, 38 (03) : 153 - 179
  • [5] *DEP BIOCH MOL BIO, 1998, TINKER SOFTW TOOLS M
  • [6] STRUCTURE OF HIV-1 REVERSE-TRANSCRIPTASE IN A COMPLEX WITH THE NONNUCLEOSIDE INHIBITOR ALPHA-APA-R-95845 AT 2.8-ANGSTROM RESOLUTION
    DING, J
    DAS, K
    TANTILLO, C
    ZHANG, W
    CLARK, AD
    JESSEN, S
    LU, X
    HSIOU, Y
    JACOBOMOLINA, A
    ANDRIES, K
    PAUWELS, R
    MOEREELS, H
    KOYMANS, L
    JANSSEN, PAJ
    SMITH, RH
    KOEPKE, MK
    MICHEJDA, CJ
    HUGHES, SH
    ARNOLD, E
    [J]. STRUCTURE, 1995, 3 (04) : 365 - 379
  • [7] Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 Å resolution
    Ding, JP
    Das, K
    Hsiou, Y
    Sarafianos, SG
    Clark, AD
    Jacobo-Molina, A
    Tantillo, C
    Hughes, SH
    Arnold, E
    [J]. JOURNAL OF MOLECULAR BIOLOGY, 1998, 284 (04) : 1095 - 1111
  • [8] STRUCTURE OF HIV-1 RT/TIBO R-86183 COMPLEX REVEALS SIMILARITY IN THE BINDING OF DIVERSE NONNUCLEOSIDE INHIBITORS
    DING, JP
    DAS, K
    MOEREELS, H
    KOYMANS, L
    ANDRIES, K
    JANSSEN, PAJ
    HUGHES, SH
    ARNOLD, E
    [J]. NATURE STRUCTURAL BIOLOGY, 1995, 2 (05): : 407 - 415
  • [9] MECHANISM OF INHIBITION OF HIV-1 REVERSE-TRANSCRIPTASE BY NONNUCLEOSIDE INHIBITORS
    ESNOUF, R
    REN, JS
    ROSS, C
    JONES, Y
    STAMMERS, D
    STUART, D
    [J]. NATURE STRUCTURAL BIOLOGY, 1995, 2 (04): : 303 - 308
  • [10] Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor
    Esnouf, RM
    Ren, JS
    Hopkins, AL
    Ross, CK
    Jones, EY
    Stammers, DK
    Stuart, DI
    [J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1997, 94 (08) : 3984 - 3989