Chlorine in PDB 7a9a: Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis

The structure of Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis, PDB code: 7a9a was solved by D.Vakhrameev, A.Kavaleuski, S.Bukhdruker, E.Marin, T.Sushko, I.P.Grabovec, A.Gilep, N.Strushkevich, V.Borshchevskiy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.95 / 1.17
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	21.035, 61.322, 76.91, 90.15, 90.32, 93.75
R / Rfree (%)	15.4 / 18.7

The structure of Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis also contains other interesting chemical elements:

Zinc	(Zn)	43 atoms
Iron	(Fe)	8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis (pdb code 7a9a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis, PDB code: 7a9a:

Chlorine binding site 1 out of 1 in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis


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 Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl108 b:64.5 occ:1.00 HH12 C:ARG8 2.0 15.6 1.0 HH22 C:ARG8 2.5 14.8 1.0 NH1 C:ARG8 2.8 13.0 1.0 HD3 B:ARG8 2.9 13.0 1.0 NH2 C:ARG8 3.2 12.3 1.0 O B:HOH214 3.2 23.6 1.0 HH11 C:ARG8 3.5 15.6 1.0 CZ C:ARG8 3.5 12.3 1.0 HA2 B:GLY13 3.7 14.2 1.0 CD B:ARG8 3.8 10.9 1.0 HA3 B:GLY13 3.9 14.2 1.0 O C:HOH250 3.9 26.5 1.0 HH21 C:ARG8 4.0 14.8 1.0 HD2 B:ARG8 4.2 13.0 1.0 CA B:GLY13 4.3 11.8 1.0 NE B:ARG8 4.4 12.1 1.0 HH11 B:ARG8 4.4 16.5 1.0 ZN C:ZN106 4.6 81.0 1.0 O C:GLY13 4.6 9.8 1.0 HG2 B:ARG8 4.7 11.6 1.0 CG B:ARG8 4.7 9.7 1.0 OE2 C:GLU15 4.7 14.3 1.0 HG3 B:ARG8 4.8 11.6 1.0 NH1 B:ARG8 4.8 13.8 1.0 NE C:ARG8 4.8 12.1 1.0 HE B:ARG8 4.8 14.5 1.0 CZ B:ARG8 4.8 13.0 1.0 CD C:GLU15 4.9 14.1 1.0

T.Sushko, A.Kavaleuski, I.Grabovec, A.Kavaleuskaya, D.Vakhrameev, S.Bukhdruker, E.Marin, A.Kuzikov, R.Masamrekh, V.Shumyantseva, K.Tsumoto, V.Borshchevskiy, A.Gilep, N.Strushkevich. A New Twist of Rubredoxin Function in M. Tuberculosis. Bioorg.Chem. V. 109 04721 2021.
ISSN: ISSN 0045-2068
PubMed: 33618255
DOI: 10.1016/J.BIOORG.2021.104721