PMID- 31312380
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20201001
IS  - 1943-8141 (Print)
IS  - 1943-8141 (Electronic)
IS  - 1943-8141 (Linking)
VI  - 11
IP  - 6
DP  - 2019
TI  - Molecular simulation studies on B-cell lymphoma/leukaemia 11A (BCL11A).
PG  - 3689-3697
AB  - B-cell lymphoma/leukaemia 11A (BCL11A) is a modulator of foetal-to-adult globin 
      switching and is involved in brain development and normal lymphopoiesis. The 
      three-dimensional structure of BCL11A and its structural domains had not yet been 
      completely determined; hence, this study aimed to elucidate the structural 
      domains of BCL11A. Molecular modelling and dynamics simulation studies were 
      conducted using in silico tools with the templates selected based on Basic Local 
      Alignment Search Tool (BLAST) searches of the Protein Data Bank (PDB). Ten 
      protein models were generated using the MODELLER software, and the best model was 
      selected according to the Discrete Optimised Protein Energy (DOPE) score and 
      validated using the RAMPAGE server by evaluation of the Ramachandran plot. More 
      than 93% of the amino acid residues of the best model of BCL11A were found to be 
      in the favoured and allowed regions. The best model was validated using a 100-ns 
      time span molecular dynamics simulation. The root-mean-square deviation, 
      root-mean-square fluctuation, and radius of gyration values were found to explain 
      the stability of the best BCL11A protein molecular model generated in the study. 
      The validated best model of the BCL11A protein may be useful for effective 
      modulator studies on foetal-to-adult globin switching and related research.
FAU - Abdulazeez, Sayed
AU  - Abdulazeez S
AD  - Department of Genetic Research, Institute for Research and Medical Consultation 
      (IRMC), Imam Abdulrahman Bin Faisal University Dammam, Saudi Arabia.
LA  - eng
PT  - Journal Article
DEP - 20190615
PL  - United States
TA  - Am J Transl Res
JT  - American journal of translational research
JID - 101493030
PMC - PMC6614651
OTO - NOTNLM
OT  - BCL11A
OT  - Phyre2 server
OT  - RAMPAGE
OT  - homology modelling
OT  - molecular dynamics simulation
COIS- None.
EDAT- 2019/07/18 06:00
MHDA- 2019/07/18 06:01
PMCR- 2019/06/15
CRDT- 2019/07/18 06:00
PHST- 2019/04/04 00:00 [received]
PHST- 2019/05/10 00:00 [accepted]
PHST- 2019/07/18 06:00 [entrez]
PHST- 2019/07/18 06:00 [pubmed]
PHST- 2019/07/18 06:01 [medline]
PHST- 2019/06/15 00:00 [pmc-release]
PST - epublish
SO  - Am J Transl Res. 2019 Jun 15;11(6):3689-3697. eCollection 2019.