Chlorine in PDB 5m3i: Macrodomain of Mycobacterium Tuberculosis Darg

The structure of Macrodomain of Mycobacterium Tuberculosis Darg, PDB code: 5m3i was solved by A.Ariza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.22 / 2.17
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.840, 75.450, 116.120, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 25.1

The binding sites of Chlorine atom in the Macrodomain of Mycobacterium Tuberculosis Darg (pdb code 5m3i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Macrodomain of Mycobacterium Tuberculosis Darg, PDB code: 5m3i:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Macrodomain of Mycobacterium Tuberculosis Darg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Macrodomain of Mycobacterium Tuberculosis Darg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:66.3 occ:1.00 O A:HOH325 2.8 68.6 1.0 N A:ASP141 3.3 67.1 1.0 O A:HOH309 3.4 71.1 1.0 C A:LEU139 3.5 63.5 1.0 CA A:LEU139 3.5 62.3 1.0 N A:PRO140 3.7 66.4 1.0 CB A:ASP141 3.7 77.1 1.0 CD A:PRO140 3.8 67.7 1.0 CA A:ASP141 3.9 69.6 1.0 CB A:LEU139 4.0 58.4 1.0 O A:LEU139 4.0 60.2 1.0 CG2 A:VAL142 4.0 59.3 1.0 OD2 A:ASP141 4.1 95.1 1.0 CD2 A:LEU139 4.2 59.6 1.0 CG A:ASP141 4.3 89.6 1.0 N A:VAL142 4.3 59.7 1.0 C A:ASP141 4.3 65.3 1.0 C A:PRO140 4.4 67.3 1.0 CG A:PRO140 4.4 68.7 1.0 CA A:PRO140 4.6 66.5 1.0 CG A:LEU139 4.8 59.0 1.0 O A:GLN138 4.8 65.5 1.0 N A:LEU139 4.8 64.0 1.0 O A:HOH303 4.9 59.2 1.0

Chlorine binding site 2 out of 3 in the Macrodomain of Mycobacterium Tuberculosis Darg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Macrodomain of Mycobacterium Tuberculosis Darg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:90.6 occ:1.00 N B:ASP141 3.2 83.4 1.0 C B:LEU139 3.4 77.1 1.0 CA B:LEU139 3.5 77.1 1.0 N B:PRO140 3.5 83.7 1.0 CD B:PRO140 3.6 84.0 1.0 CB B:ASP141 3.7 89.8 1.0 CA B:ASP141 3.8 82.5 1.0 O B:LEU139 3.9 75.2 1.0 OD2 B:ASP141 4.0 95.3 1.0 CB B:LEU139 4.0 75.2 1.0 CG2 B:VAL142 4.1 70.2 1.0 CG B:ASP141 4.2 95.0 1.0 C B:PRO140 4.2 83.1 1.0 CG B:PRO140 4.2 84.9 1.0 C B:ASP141 4.3 78.8 1.0 N B:VAL142 4.3 73.3 1.0 CD2 B:LEU139 4.3 76.9 1.0 CA B:PRO140 4.4 83.4 1.0 O B:GLN138 4.8 83.9 1.0 N B:LEU139 4.8 77.3 1.0 CG B:LEU139 4.8 74.7 1.0

Chlorine binding site 3 out of 3 in the Macrodomain of Mycobacterium Tuberculosis Darg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Macrodomain of Mycobacterium Tuberculosis Darg within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:91.0 occ:1.00 N C:ASP141 3.1 71.5 1.0 CB C:ASP141 3.4 77.7 1.0 CA C:ASP141 3.6 70.3 1.0 C C:LEU139 3.7 67.0 1.0 OD2 C:ASP141 3.7 93.3 1.0 N C:PRO140 3.7 75.9 1.0 CA C:LEU139 3.8 68.5 1.0 CD C:PRO140 3.8 80.8 1.0 CG C:ASP141 3.9 85.3 1.0 O C:LEU139 4.1 64.2 1.0 C C:ASP141 4.1 68.4 1.0 CG2 C:VAL142 4.1 62.1 1.0 N C:VAL142 4.2 59.9 1.0 C C:PRO140 4.2 71.8 1.0 CB C:LEU139 4.3 68.3 1.0 CG C:PRO140 4.3 82.7 1.0 CA C:PRO140 4.5 73.8 1.0 CD2 C:LEU139 4.6 69.8 1.0 O C:ASP141 4.9 64.4 1.0

G.Jankevicius, A.Ariza, M.Ahel, I.Ahel. The Toxin-Antitoxin System Dartg Catalyzes Reversible Adp-Ribosylation of Dna. Mol. Cell V. 64 1109 2016.
ISSN: ISSN 1097-4164
PubMed: 27939941
DOI: 10.1016/J.MOLCEL.2016.11.014