PMID- 31010024
OWN - NLM
STAT- MEDLINE
DCOM- 20190812
LR  - 20231011
IS  - 1422-0067 (Electronic)
IS  - 1422-0067 (Linking)
VI  - 20
IP  - 8
DP  - 2019 Apr 20
TI  - Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by 
      X-ray Free-Electron Lasers.
LID - 10.3390/ijms20081943 [doi]
LID - 1943
AB  - HIV-1 integrase (HIV-1 IN) is an enzyme produced by the HIV-1 virus that 
      integrates genetic material of the virus into the DNA of infected human cells. 
      HIV-1 IN acts as a key component of the Retroviral Pre-Integration Complex (PIC). 
      Protein dynamics could play an important role during the catalysis of HIV-1 IN; 
      however, this process has not yet been fully elucidated. X-ray free electron 
      laser (XFEL) together with nuclear magnetic resonance (NMR) could provide 
      information regarding the dynamics during this catalysis reaction. Here, we 
      report the non-cryogenic crystal structure of HIV-1 IN catalytic core domain at 
      2.5 A using microcrystals in XFELs. Compared to the cryogenic structure at 2.1 A 
      using conventional synchrotron crystallography, there was a good agreement 
      between the two structures, except for a catalytic triad formed by Asp64, Asp116, 
      and Glu152 (DDE) and the lens epithelium-derived growth factor binding sites. The 
      helix III region of the 140-153 residues near the active site and the DDE triad 
      show a higher dynamic profile in the non-cryogenic structure, which is comparable 
      to dynamics data obtained from NMR spectroscopy in solution state.
FAU - Park, Jae-Hyun
AU  - Park JH
AD  - Structural Biochemistry & Molecular Biophysics Laboratory, Department of 
      Biochemistry, College of Life Science & Biotechnology, Yonsei University, Seoul 
      03722, Korea. jaehyun234@yonsei.ac.kr.
FAU - Yun, Ji-Hye
AU  - Yun JH
AUID- ORCID: 0000-0001-7570-369X
AD  - Structural Biochemistry & Molecular Biophysics Laboratory, Department of 
      Biochemistry, College of Life Science & Biotechnology, Yonsei University, Seoul 
      03722, Korea. jihye2@spin.yonsei.ac.kr.
FAU - Shi, Yingchen
AU  - Shi Y
AUID- ORCID: 0000-0003-4682-3195
AD  - Complex Systems Division, Beijing Computational Science Research Center, Beijing 
      100193, China. shiyc12@csrc.ac.cn.
AD  - Department of Engineering Physics, Tsinghua University, Beijing 100084, China. 
      shiyc12@csrc.ac.cn.
FAU - Han, Jeongmin
AU  - Han J
AD  - Structural Biochemistry & Molecular Biophysics Laboratory, Department of 
      Biochemistry, College of Life Science & Biotechnology, Yonsei University, Seoul 
      03722, Korea. jmhan@spin.yonsei.ac.kr.
FAU - Li, Xuanxuan
AU  - Li X
AD  - Complex Systems Division, Beijing Computational Science Research Center, Beijing 
      100193, China. lixx11@csrc.ac.cn.
AD  - Department of Engineering Physics, Tsinghua University, Beijing 100084, China. 
      lixx11@csrc.ac.cn.
FAU - Jin, Zeyu
AU  - Jin Z
AD  - Structural Biochemistry & Molecular Biophysics Laboratory, Department of 
      Biochemistry, College of Life Science & Biotechnology, Yonsei University, Seoul 
      03722, Korea. zyjin@spin.yonsei.ac.kr.
FAU - Kim, Taehee
AU  - Kim T
AD  - Structural Biochemistry & Molecular Biophysics Laboratory, Department of 
      Biochemistry, College of Life Science & Biotechnology, Yonsei University, Seoul 
      03722, Korea. thkim@spin.yonsei.ac.kr.
FAU - Park, Jaehyun
AU  - Park J
AD  - Pohang Accelerator Laboratory, Pohang 37673, Korea. jaehyun.park@postech.ac.kr.
FAU - Park, Sehan
AU  - Park S
AD  - Pohang Accelerator Laboratory, Pohang 37673, Korea. sehan@postech.ac.kr.
FAU - Liu, Haiguang
AU  - Liu H
AUID- ORCID: 0000-0001-7324-6632
AD  - Complex Systems Division, Beijing Computational Science Research Center, Beijing 
      100193, China. hgliu@csrc.ac.cn.
FAU - Lee, Weontae
AU  - Lee W
AD  - Structural Biochemistry & Molecular Biophysics Laboratory, Department of 
      Biochemistry, College of Life Science & Biotechnology, Yonsei University, Seoul 
      03722, Korea. wtlee@yonsei.ac.kr.
LA  - eng
PT  - Journal Article
DEP - 20190420
PL  - Switzerland
TA  - Int J Mol Sci
JT  - International journal of molecular sciences
JID - 101092791
RN  - EC 2.7.7.- (HIV Integrase)
RN  - YY6481J2FF (p31 integrase protein, Human immunodeficiency virus 1)
MH  - *Catalytic Domain
MH  - Crystallography, X-Ray
MH  - *Electrons
MH  - HIV Integrase/*chemistry
MH  - *Lasers
MH  - Protein Structure, Secondary
MH  - Temperature
MH  - X-Rays
PMC - PMC6514806
OTO - NOTNLM
OT  - HIV-1 integrase
OT  - XFELs
OT  - non-cryogenic structure
OT  - protein dynamics
COIS- The authors declare no conflicts of interest.
EDAT- 2019/04/24 06:00
MHDA- 2019/08/14 06:00
PMCR- 2019/04/01
CRDT- 2019/04/24 06:00
PHST- 2019/03/25 00:00 [received]
PHST- 2019/04/17 00:00 [revised]
PHST- 2019/04/19 00:00 [accepted]
PHST- 2019/04/24 06:00 [entrez]
PHST- 2019/04/24 06:00 [pubmed]
PHST- 2019/08/14 06:00 [medline]
PHST- 2019/04/01 00:00 [pmc-release]
AID - ijms20081943 [pii]
AID - ijms-20-01943 [pii]
AID - 10.3390/ijms20081943 [doi]
PST - epublish
SO  - Int J Mol Sci. 2019 Apr 20;20(8):1943. doi: 10.3390/ijms20081943.