Literature DB >> 27658298

Correction: Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.

Kayode K Ojo, Ranae M Ranade, Zhongsheng Zhang, David M Dranow, Janette B Myers, Ryan Choi, Steve Nakazawa Hewitt, Thomas E Edwards, Douglas R Davies, Donald Lorimer, Stephen M Boyle, Lynn K Barrett, Frederick S Buckner, Erkang Fan, Wesley C Van Voorhis.   

Abstract

[This corrects the article DOI: 10.1371/journal.pone.0160350.].

Entities:  

Year:  2016        PMID: 27658298      PMCID: PMC5033446          DOI: 10.1371/journal.pone.0163641

Source DB:  PubMed          Journal:  PLoS One        ISSN: 1932-6203            Impact factor:   3.240


There is an error in the third-to-last sentence of the “BmMetRS in complex with inhibitors” section. The correct sentence is: A superposition of 4PY2 Chain B and 4MVW Chain A gives a good illustration of this (Fig 7).
Fig 7

A superposition of BmMetRS (PDB ID 4PY2 Chain B) and TbMetRS (PDB ID 4MVW Chain) bound to compound 1433.

A key difference is the interaction of BmMetRS Phe213 which is functionally equivalent to Leu456 in TbMetRS but led to different protein geometry. The TbMetRS structure is shown in blue and the 2 different residues in orange.

There is an error in the caption for Fig 7. Please see the correct Fig 7 caption here.

A superposition of BmMetRS (PDB ID 4PY2 Chain B) and TbMetRS (PDB ID 4MVW Chain) bound to compound 1433.

A key difference is the interaction of BmMetRS Phe213 which is functionally equivalent to Leu456 in TbMetRS but led to different protein geometry. The TbMetRS structure is shown in blue and the 2 different residues in orange. Additionally, in Table 2, the “PDB code” value for “1433” should read “4PY2”. Please view the corrected Table 2 here.
Table 2

Data collection and model refinement statistics.

CrystalSeMet131214151433
PDB code4DLP5K0S5K0T4PY2
Data collection
Space GroupP 1 21 1P 1P 1P 1
Cell dimensions
a, b, c (Å)116.25, 77.62, 116.2745.27, 99.74, 104.6345.16, 99.65, 104.3045.01, 99.48, 104.00
Α, β, γ (°)90, 119.67, 90110.58, 87.63, 99.91110.46, 88.09, 99.72110.47, 87.24, 99.99
Resolution range (Å)50.00–2.65 (2.72–2.65)50.00–2.40 (2.46–2.40)50.00–2.60 (2.67–2.60)50.00–2.15 (2.21–2.15)
No. of unique reflections52379636524966088924
Rmerge (%)a7.1 (48.6)6.4 (52.5)7.5 (47.0)6.6 (53.6)
Redudancy a3.7 (3.7)2.4 (2.4)2.4 (2.4)3.9 (4.0)
Completeness (%)a99.3 (99.5)96.3 (85.2)96.0 (97.5)98.2 (97.3)
l/σIa15.21 (2.63)11.43 (2.13)10.12 (2.07)15.76 (2.73)
Refinement
Resolution range50.00–2.65 (2.72–2.65)50.00–2.40 (2.46–2.40)50.00–2.60 (2.67–2.60)50.00–2.15 (2.21–2.15)
No. of protein atoms10934114691118911480
No. of water molecules88219169135
Rcryst (%)19.721.025.617.8
Rfree (%)23.725.628.621.1
Root-mean-square deviations from ideal stereochemistry
Bond lengths (Å)0.0120.0030.0080.011
Bond angles (°)1.4210.5771.1831.384
Mean B factor (all atoms) (Å2)48.2543.2949.7635.98
Ramachandran plot
Favored region (%)96.8798.7798.6797.43
Allowed regions (%)3.131.231.332.57
Outlier regions (%)0.000.000.000.00
Clashscore2.32.50.460.79
Molprobity Score1.181.150.740.75
  1 in total

1.  Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.

Authors:  Kayode K Ojo; Ranae M Ranade; Zhongsheng Zhang; David M Dranow; Janette B Myers; Ryan Choi; Steve Nakazawa Hewitt; Thomas E Edwards; Douglas R Davies; Donald Lorimer; Stephen M Boyle; Lynn K Barrett; Frederick S Buckner; Erkang Fan; Wesley C Van Voorhis
Journal:  PLoS One       Date:  2016-08-08       Impact factor: 3.240

  1 in total
  1 in total

1.  Identification of Selective Novel Hits against Plasmodium falciparum Prolyl tRNA Synthetase Active Site and a Predicted Allosteric Site Using in silico Approaches.

Authors:  Dorothy Wavinya Nyamai; Özlem Tastan Bishop
Journal:  Int J Mol Sci       Date:  2020-05-27       Impact factor: 5.923

  1 in total

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