Chlorine 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:

Magnesium	(Mg)	2 atoms
Caesium	(Cs)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure Analysis of Ttqrs in Complex with Atp, PDB code: 5zdk:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl606 b:40.1 occ:0.75 N A:HIS412 3.2 42.7 1.0 O A:HOH773 3.2 36.4 1.0 NH1 A:ARG411 3.3 49.2 1.0 CD A:ARG411 3.7 44.6 1.0 CG A:ARG409 3.8 53.2 1.0 CA A:ARG411 3.8 41.3 1.0 C A:ARG411 4.0 38.4 1.0 CD A:ARG409 4.1 55.0 1.0 CG1 A:VAL453 4.1 42.9 1.0 CA A:HIS412 4.2 42.7 1.0 CZ A:ARG411 4.3 45.9 1.0 NE A:ARG411 4.5 42.1 1.0 O A:LEU410 4.5 41.7 1.0 CG A:ARG411 4.6 41.6 1.0 CD2 A:HIS412 4.7 45.1 1.0 CB A:ARG411 4.7 37.5 1.0 N A:ARG411 4.8 34.4 1.0 CG2 A:VAL453 4.8 44.9 1.0 NE A:ARG409 4.8 58.4 1.0 N A:ALA413 4.9 40.5 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl607 b:37.2 occ:0.45 CG2 A:THR375 2.8 45.6 1.0 C A:ARG376 3.4 46.4 1.0 CA A:ARG376 3.5 44.8 1.0 N A:PRO377 3.5 51.0 1.0 N A:ARG376 3.6 47.8 1.0 CD A:PRO377 3.7 49.5 1.0 O A:ARG376 3.8 48.1 1.0 CG A:PRO377 3.9 50.9 1.0 C A:THR375 4.0 46.3 1.0 CG A:GLU362 4.1 68.8 1.0 CB A:THR375 4.2 48.2 1.0 CA A:PRO377 4.3 46.7 1.0 O A:THR375 4.4 45.0 1.0 CB A:PRO377 4.6 47.5 1.0 CA A:GLU362 4.6 61.4 1.0 CB A:GLU362 4.7 58.8 1.0 CD A:GLU362 4.7 73.2 1.0 CA A:THR375 4.7 46.7 1.0 OE2 A:GLU362 4.8 74.8 1.0 OG1 A:THR375 5.0 43.1 1.0 CB A:ARG376 5.0 51.0 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