Chlorine in PDB 7zjt: Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution

All present enzymatic activity of Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution:
3.7.1.17; 3.7.1.8;

The structure of Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution, PDB code: 7zjt was solved by S.Barelier, V.Roig-Zamboni, J.F.Cavalier, G.Sulzenbacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.38 / 1.96
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	76.81, 87.416, 106.182, 90, 90, 90
R / Rfree (%)	18.3 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution (pdb code 7zjt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution, PDB code: 7zjt:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:57.4 occ:1.00 NE A:ARG133 3.5 27.9 1.0 NH1 A:ARG133 3.7 35.6 1.0 CD A:PRO232 3.7 13.6 1.0 CG A:PRO232 3.9 13.5 1.0 CZ A:ARG133 4.0 34.4 1.0 CE B:MET94 4.2 30.6 1.0 CG A:ARG133 4.2 19.9 1.0 CD A:ARG133 4.4 21.2 1.0 NH2 A:ARG258 4.4 30.1 1.0 NH1 A:ARG258 4.8 35.6 1.0 NH1 A:ARG107 4.8 27.5 1.0 SD B:MET94 4.9 26.9 1.0 CZ A:ARG258 4.9 33.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:48.5 occ:1.00 NZ A:LYS156 3.7 28.7 1.0 O A:HOH403 3.9 26.2 1.0 O A:HOH546 4.1 34.8 1.0 CE A:LYS156 4.5 28.6 1.0 CD A:LYS156 4.6 26.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Hsad From Mycobacterium Tuberculosis at 1.96 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:56.5 occ:1.00 O B:HOH485 2.7 51.4 1.0 O B:HOH495 3.3 38.0 1.0 NE B:ARG133 3.3 32.5 1.0 CD B:PRO232 3.9 17.0 1.0 NH1 B:ARG133 4.0 43.3 1.0 CG B:ARG133 4.1 23.8 1.0 CG B:PRO232 4.1 16.8 1.0 CZ B:ARG133 4.1 43.3 1.0 NH1 B:ARG107 4.1 50.8 1.0 CD B:ARG133 4.2 27.2 1.0 NH2 B:ARG258 4.4 28.6 1.0 NH2 B:ARG107 4.7 56.4 1.0 CZ B:ARG107 4.9 56.0 1.0 NH1 B:ARG258 5.0 33.2 1.0 O B:HOH508 5.0 21.0 1.0

S.Barelier, R.Avellan, G.R.Gnawali, P.Fourquet, V.Roig-Zamboni, I.Poncin, V.Point, Y.Bourne, S.Audebert, L.Camoin, C.D.Spilling, S.Canaan, J.F.Cavalier, G.Sulzenbacher. Direct Capture, Inhibition and Crystal Structure of Hsad (RV3569C) From M. Tuberculosis. Febs J. 2022.
ISSN: ISSN 1742-464X
PubMed: 36197115
DOI: 10.1111/FEBS.16645