Magnesium in PDB 5zdk: Crystal Structure Analysis of Ttqrs in Complex with Atp

All present enzymatic activity of Crystal Structure Analysis of Ttqrs in Complex with Atp:
6.1.1.18;

The structure of Crystal Structure Analysis of Ttqrs in Complex with Atp, PDB code: 5zdk was solved by N.Mutharasappan, V.Jain, A.Sharma, Y.Manickam, J.Jeyaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.46 / 2.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	144.660, 39.413, 116.051, 90.00, 116.48, 90.00
R / Rfree (%)	19.2 / 23.3

The structure of Crystal Structure Analysis of Ttqrs in Complex with Atp also contains other interesting chemical elements:

Caesium	(Cs)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure Analysis of Ttqrs in Complex with Atp (pdb code 5zdk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure Analysis of Ttqrs in Complex with Atp, PDB code: 5zdk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure Analysis of Ttqrs in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Analysis of Ttqrs in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:46.8 occ:0.88 O2A A:ATP601 2.3 47.9 0.9 O2B A:ATP601 2.4 40.7 0.9 PA A:ATP601 3.6 42.8 0.9 PB A:ATP601 3.7 43.1 0.9 O2G A:ATP601 4.0 47.0 0.9 O3A A:ATP601 4.1 48.1 0.9 NE2 A:HIS41 4.2 49.2 1.0 O1A A:ATP601 4.2 42.2 0.9 OE1 A:GLU32 4.3 58.2 1.0 CE A:LYS269 4.5 64.4 1.0 O A:HOH745 4.5 45.2 1.0 MG A:MG605 4.6 59.1 0.9 O3B A:ATP601 4.6 48.4 0.9 CE1 A:HIS41 4.6 45.0 1.0 O5' A:ATP601 4.8 47.4 0.9 PG A:ATP601 4.8 41.7 0.9 CB A:LYS269 4.9 54.3 1.0 O1B A:ATP601 4.9 44.0 0.9 O1G A:ATP601 5.0 45.0 0.9

Magnesium binding site 2 out of 2 in the Crystal Structure Analysis of Ttqrs in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure Analysis of Ttqrs in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg605 b:59.1 occ:0.88 O1G A:ATP601 2.8 45.0 0.9 O2B A:ATP601 3.2 40.7 0.9 O1B A:ATP601 3.5 44.0 0.9 OE1 A:GLU32 3.6 58.2 1.0 PB A:ATP601 3.7 43.1 0.9 PG A:ATP601 4.1 41.7 0.9 O3B A:ATP601 4.4 48.4 0.9 CD A:GLU32 4.5 58.1 1.0 CS A:CS603 4.5 86.2 0.3 O2G A:ATP601 4.6 47.0 0.9 MG A:MG604 4.6 46.8 0.9 OE2 A:GLU32 4.8 56.5 1.0

M.Nachiappan, V.Jain, A.Sharma, M.Yogavel, J.Jeyakanthan. Structural and Functional Analysis of Glutaminyl-Trna Synthetase (Ttglnrs) From Thermus Thermophilus HB8 and Its Complexes Int. J. Biol. Macromol. V. 120 1379 2018.
ISSN: ISSN 1879-0003
PubMed: 30248426
DOI: 10.1016/J.IJBIOMAC.2018.09.115