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Magnesium in PDB 4qrd: Structure of Methionyl-Trna Synthetase in Complex with N-(1H- Benzimidazol-2-Ylmethyl)-N'-(2,4-Dichlorophenyl)-6-(Morpholin-4-Yl)- 1,3,5-Triazine-2,4-Diamine

Enzymatic activity of Structure of Methionyl-Trna Synthetase in Complex with N-(1H- Benzimidazol-2-Ylmethyl)-N'-(2,4-Dichlorophenyl)-6-(Morpholin-4-Yl)- 1,3,5-Triazine-2,4-Diamine

All present enzymatic activity of Structure of Methionyl-Trna Synthetase in Complex with N-(1H- Benzimidazol-2-Ylmethyl)-N'-(2,4-Dichlorophenyl)-6-(Morpholin-4-Yl)- 1,3,5-Triazine-2,4-Diamine:
6.1.1.10;

Protein crystallography data

The structure of Structure of Methionyl-Trna Synthetase in Complex with N-(1H- Benzimidazol-2-Ylmethyl)-N'-(2,4-Dichlorophenyl)-6-(Morpholin-4-Yl)- 1,3,5-Triazine-2,4-Diamine, PDB code: 4qrd was solved by X.Li, M.T.Hilgers, M.Stidham, V.Brown-Driver, K.J.Shaw, J.Finn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.25 / 1.97
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.438, 76.726, 118.222, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 28.3

Other elements in 4qrd:

The structure of Structure of Methionyl-Trna Synthetase in Complex with N-(1H- Benzimidazol-2-Ylmethyl)-N'-(2,4-Dichlorophenyl)-6-(Morpholin-4-Yl)- 1,3,5-Triazine-2,4-Diamine also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Methionyl-Trna Synthetase in Complex with N-(1H- Benzimidazol-2-Ylmethyl)-N'-(2,4-Dichlorophenyl)-6-(Morpholin-4-Yl)- 1,3,5-Triazine-2,4-Diamine (pdb code 4qrd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of Methionyl-Trna Synthetase in Complex with N-(1H- Benzimidazol-2-Ylmethyl)-N'-(2,4-Dichlorophenyl)-6-(Morpholin-4-Yl)- 1,3,5-Triazine-2,4-Diamine, PDB code: 4qrd:

Magnesium binding site 1 out of 1 in 4qrd

Go back to Magnesium Binding Sites List in 4qrd
Magnesium binding site 1 out of 1 in the Structure of Methionyl-Trna Synthetase in Complex with N-(1H- Benzimidazol-2-Ylmethyl)-N'-(2,4-Dichlorophenyl)-6-(Morpholin-4-Yl)- 1,3,5-Triazine-2,4-Diamine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Methionyl-Trna Synthetase in Complex with N-(1H- Benzimidazol-2-Ylmethyl)-N'-(2,4-Dichlorophenyl)-6-(Morpholin-4-Yl)- 1,3,5-Triazine-2,4-Diamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:15.4
occ:1.00
O A:HOH832 2.0 39.0 1.0
O A:HOH869 3.3 28.8 1.0
O A:HOH831 3.7 26.1 1.0
CB A:LYS231 3.8 28.2 1.0
CA A:LYS231 4.0 26.8 1.0
O A:LYS231 4.1 25.7 1.0
O A:THR218 4.4 20.6 1.0
C A:LYS231 4.6 25.5 1.0
O A:HOH833 4.8 29.4 1.0
CG A:LYS231 5.0 24.9 1.0

Reference:

X.Li, M.T.Hilgers, M.Stidham, V.Brown-Driver, K.J.Shaw, J.Finn. Discovery and Sar of A Novel Series of Pyrimidine Antibacterials Targeting Methionyl-Trna Synthetase To Be Published.
Page generated: Mon Dec 14 19:24:22 2020

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