Chlorine in PDB 6pr1: R260A/S128A S. Typhimurium Siroheme Synthase

All present enzymatic activity of R260A/S128A S. Typhimurium Siroheme Synthase:
1.3.1.76; 2.1.1.107; 4.99.1.4;

The structure of R260A/S128A S. Typhimurium Siroheme Synthase, PDB code: 6pr1 was solved by J.M.Pennington, M.E.Stroupe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.16 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.619, 99.553, 147.516, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21

The binding sites of Chlorine atom in the R260A/S128A S. Typhimurium Siroheme Synthase (pdb code 6pr1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the R260A/S128A S. Typhimurium Siroheme Synthase, PDB code: 6pr1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the R260A/S128A S. Typhimurium Siroheme Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of R260A/S128A S. Typhimurium Siroheme Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:56.7 occ:1.00 N A:GLY130 3.0 52.0 1.0 CB A:ALA128 3.3 40.8 1.0 N A:ALA128 3.4 33.9 1.0 CA A:GLY130 3.4 50.0 1.0 N A:PRO133 3.5 61.8 1.0 CA A:ALA128 3.6 35.4 1.0 C A:ALA128 3.6 45.7 1.0 C A:SER132 3.6 52.9 1.0 CA A:PRO133 3.6 64.3 1.0 O A:SER132 3.6 49.2 1.0 N A:GLY129 3.8 43.1 1.0 C A:GLY130 3.8 58.9 1.0 N A:SER132 3.9 56.0 1.0 N A:THR131 4.0 53.3 1.0 O A:ALA128 4.1 47.9 1.0 C A:GLY129 4.2 54.9 1.0 CD A:PRO133 4.2 71.0 1.0 CG A:PRO133 4.3 75.6 1.0 OG A:SER127 4.3 40.6 1.0 CB A:ALA136 4.4 46.1 1.0 CA A:SER132 4.4 54.3 1.0 CB A:PRO133 4.4 72.9 1.0 O A:GLY130 4.5 65.6 1.0 CA A:GLY129 4.5 51.4 1.0 C A:SER127 4.6 35.0 1.0 O A:HOH764 4.7 47.0 1.0 C A:THR131 4.8 58.0 1.0 C A:PRO133 4.8 54.7 1.0 CA A:SER127 5.0 30.4 1.0 CA A:THR131 5.0 56.0 1.0

Chlorine binding site 2 out of 2 in the R260A/S128A S. Typhimurium Siroheme Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of R260A/S128A S. Typhimurium Siroheme Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:33.2 occ:1.00 N B:GLY130 3.1 43.8 1.0 N B:ALA128 3.3 25.7 1.0 N B:SER132 3.3 29.5 1.0 CA B:GLY130 3.4 40.4 1.0 C B:SER132 3.5 31.4 1.0 N B:PRO133 3.5 33.8 1.0 C B:ALA128 3.6 34.2 1.0 CB B:ALA128 3.6 32.5 1.0 C B:GLY130 3.6 34.7 1.0 N B:THR131 3.6 28.6 1.0 CA B:ALA128 3.6 30.6 1.0 O B:HOH708 3.7 48.5 1.0 N B:GLY129 3.8 32.2 1.0 O B:SER132 3.8 27.9 1.0 CA B:PRO133 3.9 34.6 1.0 CA B:SER132 4.0 28.0 1.0 O B:ALA128 4.0 29.6 1.0 CD B:PRO133 4.0 39.2 1.0 C B:GLY129 4.2 43.3 1.0 O B:GLY130 4.4 36.7 1.0 C B:THR131 4.4 30.6 1.0 OG B:SER127 4.4 29.5 1.0 CB B:PRO133 4.5 39.1 1.0 C B:SER127 4.5 22.8 1.0 CA B:GLY129 4.6 42.3 1.0 CA B:THR131 4.6 32.2 1.0 CB B:SER132 4.6 26.7 1.0 CA B:SER127 4.8 28.1 1.0 CG B:PRO133 4.8 36.9 1.0 CB B:ALA136 4.8 23.3 1.0 OG1 B:THR131 4.9 32.6 1.0

J.M.Pennington, M.Kemp, L.Mcgarry, Y.Chen, M.E.Stroupe. Siroheme Synthase Orients Substrates For Dehydrogenase and Chelatase Activities in A Common Active Site. Nat Commun V. 11 864 2020.
ISSN: ESSN 2041-1723
PubMed: 32054833
DOI: 10.1038/S41467-020-14722-1