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Magnesium in PDB 6yku: Neisseria Gonorrhoeae Leucyl-Trna Synthetase in Complex with Compound 11F

Enzymatic activity of Neisseria Gonorrhoeae Leucyl-Trna Synthetase in Complex with Compound 11F

All present enzymatic activity of Neisseria Gonorrhoeae Leucyl-Trna Synthetase in Complex with Compound 11F:
6.1.1.4;

Protein crystallography data

The structure of Neisseria Gonorrhoeae Leucyl-Trna Synthetase in Complex with Compound 11F, PDB code: 6yku was solved by L.Pang, S.V.Strelkov, S.D.Weeks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.50 / 2.14
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.109, 80.742, 224.012, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 23.1

Other elements in 6yku:

The structure of Neisseria Gonorrhoeae Leucyl-Trna Synthetase in Complex with Compound 11F also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Zinc (Zn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Neisseria Gonorrhoeae Leucyl-Trna Synthetase in Complex with Compound 11F (pdb code 6yku). 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 Neisseria Gonorrhoeae Leucyl-Trna Synthetase in Complex with Compound 11F, PDB code: 6yku:

Magnesium binding site 1 out of 1 in 6yku

Go back to Magnesium Binding Sites List in 6yku
Magnesium binding site 1 out of 1 in the Neisseria Gonorrhoeae Leucyl-Trna Synthetase in Complex with Compound 11F


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Neisseria Gonorrhoeae Leucyl-Trna Synthetase in Complex with Compound 11F within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1106

b:48.5
occ:1.00
 O A:HOH1541 1.9 46.2 1.0
O A:HOH1503 2.1 42.2 1.0
O A:HOH1219 2.2 42.5 1.0
O A:HOH1234 2.2 43.9 1.0
O A:HOH1524 2.2 45.8 1.0
OE1 A:GLU210 4.1 45.8 1.0
O A:LYS208 4.3 37.2 1.0
O A:HOH1305 4.5 41.5 1.0
O A:HOH1276 4.5 40.4 1.0
O A:HOH1463 4.5 45.3 1.0
CD A:GLU210 4.8 45.1 1.0

Reference:

D.De Ruysscher, L.Pang, S.M.G.Lenders, D.Cappoen, P.Cos, J.Rozenski, S.V.Strelkov, S.D.Weeks, A.Van Aerschot. Synthesis and Structure-Activity Studies of Novel Anhydrohexitol-Based Leucyl-Trna Synthetase Inhibitors. Eur.J.Med.Chem. 13021 2020.
ISSN: ISSN 0223-5234
PubMed: 33248851
DOI: 10.1016/J.EJMECH.2020.113021
Page generated: Wed Oct 2 01:03:04 2024

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