Chlorine in PDB 1zj9: Structure of Mycobacterium Tuberculosis Nira Protein

All present enzymatic activity of Structure of Mycobacterium Tuberculosis Nira Protein:
1.7.7.1;

The structure of Structure of Mycobacterium Tuberculosis Nira Protein, PDB code: 1zj9 was solved by R.Schnell, T.Sandalova, U.Hellman, Y.Lindqvist, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.00 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.983, 83.307, 108.801, 90.00, 102.22, 90.00
R / Rfree (%)	20.2 / 28

The structure of Structure of Mycobacterium Tuberculosis Nira Protein also contains other interesting chemical elements:

Iron

(Fe)

10 atoms

The binding sites of Chlorine atom in the Structure of Mycobacterium Tuberculosis Nira Protein (pdb code 1zj9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Mycobacterium Tuberculosis Nira Protein, PDB code: 1zj9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Mycobacterium Tuberculosis Nira Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mycobacterium Tuberculosis Nira Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl570 b:34.4 occ:1.00 FE A:SRM569 2.6 36.7 1.0 NH1 A:ARG166 2.9 31.0 1.0 NZ A:LYS207 3.0 25.4 1.0 NH2 A:ARG97 3.2 24.3 1.0 ND A:SRM569 3.4 37.4 1.0 NC A:SRM569 3.5 33.6 1.0 NB A:SRM569 3.5 35.2 1.0 NA A:SRM569 3.7 38.5 1.0 C4B A:SRM569 3.9 33.8 1.0 NH1 A:ARG97 3.9 26.0 1.0 C1C A:SRM569 3.9 31.2 1.0 NZ A:LYS209 3.9 13.9 1.0 CZ A:ARG97 4.0 25.0 1.0 CHC A:SRM569 4.0 31.7 1.0 CZ A:ARG166 4.1 30.5 1.0 C4D A:SRM569 4.1 38.5 1.0 CE A:LYS207 4.1 23.2 1.0 O2B A:SRM569 4.2 33.6 1.0 CE A:LYS209 4.2 16.8 1.0 C1A A:SRM569 4.3 39.8 1.0 C4C A:SRM569 4.3 34.8 1.0 C1D A:SRM569 4.3 37.0 1.0 CAB A:SRM569 4.4 32.3 1.0 CHA A:SRM569 4.5 39.3 1.0 CD A:LYS207 4.5 22.5 1.0 NH2 A:ARG166 4.5 31.3 1.0 C1B A:SRM569 4.5 34.6 1.0 C4A A:SRM569 4.6 39.1 1.0 CHD A:SRM569 4.8 36.2 1.0 C3B A:SRM569 4.8 32.5 1.0 CCB A:SRM569 4.9 31.1 1.0 CBB A:SRM569 4.9 31.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Mycobacterium Tuberculosis Nira Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Mycobacterium Tuberculosis Nira Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1570 b:32.4 occ:1.00 NZ B:LYS207 2.5 28.7 1.0 FE B:SRM1569 2.7 33.5 1.0 NH1 B:ARG166 3.0 33.6 1.0 NH1 B:ARG97 3.3 25.8 1.0 ND B:SRM1569 3.4 37.2 1.0 NC B:SRM1569 3.4 33.9 1.0 NH2 B:ARG97 3.5 25.5 1.0 NB B:SRM1569 3.6 34.9 1.0 NA B:SRM1569 3.8 38.5 1.0 NZ B:LYS209 3.8 15.1 1.0 CZ B:ARG97 3.8 26.1 1.0 C1C B:SRM1569 3.9 31.4 1.0 C4B B:SRM1569 3.9 33.9 1.0 CE B:LYS207 4.0 26.7 1.0 CHC B:SRM1569 4.0 31.6 1.0 C4D B:SRM1569 4.0 38.3 1.0 O2B B:SRM1569 4.1 33.2 1.0 CE B:LYS209 4.2 16.4 1.0 C1D B:SRM1569 4.3 36.8 1.0 C4C B:SRM1569 4.3 34.2 1.0 C1A B:SRM1569 4.3 39.5 1.0 CZ B:ARG166 4.3 32.1 1.0 CHA B:SRM1569 4.3 38.8 1.0 CAB B:SRM1569 4.4 31.9 1.0 C1B B:SRM1569 4.5 34.0 1.0 C4A B:SRM1569 4.6 39.0 1.0 CHD B:SRM1569 4.7 35.8 1.0 CBB B:SRM1569 4.8 32.0 1.0 CD B:LYS207 4.8 24.7 1.0 CCB B:SRM1569 4.8 30.9 1.0 C3B B:SRM1569 4.9 32.0 1.0 NH2 B:ARG166 4.9 33.6 1.0 C2C B:SRM1569 5.0 32.9 1.0

R.Schnell, T.Sandalova, U.Hellman, Y.Lindqvist, G.Schneider. Siroheme- and [FE4-S4]-Dependent Nira From Mycobacterium Tuberculosis Is A Sulfite Reductase with A Covalent Cys-Tyr Bond in the Active Site J.Biol.Chem. V. 280 27319 2005.
ISSN: ISSN 0021-9258
PubMed: 15917234
DOI: 10.1074/JBC.M502560200