Chlorine in PDB 6pr3: D262A/S128A S. Typhimurium Siroheme Synthase

All present enzymatic activity of D262A/S128A S. Typhimurium Siroheme Synthase:
1.3.1.76; 2.1.1.107; 4.99.1.4;

The structure of D262A/S128A S. Typhimurium Siroheme Synthase, PDB code: 6pr3 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)	35.20 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.276, 98.944, 146.312, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 21.5

The binding sites of Chlorine atom in the D262A/S128A S. Typhimurium Siroheme Synthase (pdb code 6pr3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the D262A/S128A S. Typhimurium Siroheme Synthase, PDB code: 6pr3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the D262A/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 D262A/S128A S. Typhimurium Siroheme Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:56.0 occ:1.00 N A:GLY130 3.0 54.6 1.0 CA A:GLY130 3.4 48.6 1.0 N A:PRO133 3.4 41.4 1.0 C A:SER132 3.5 47.1 1.0 CB A:ALA128 3.5 44.1 1.0 N A:ALA128 3.5 40.2 1.0 O A:SER132 3.5 43.0 1.0 CA A:PRO133 3.6 41.9 1.0 C A:ALA128 3.6 45.4 1.0 CA A:ALA128 3.7 43.4 1.0 N A:GLY129 3.8 37.0 1.0 N A:SER132 3.8 38.1 1.0 C A:GLY130 3.8 52.8 1.0 N A:THR131 4.0 46.3 1.0 CD A:PRO133 4.1 51.7 1.0 O A:ALA128 4.1 48.2 1.0 C A:GLY129 4.2 58.8 1.0 CA A:SER132 4.3 45.2 1.0 CB A:PRO133 4.3 51.2 1.0 CB A:ALA136 4.4 33.3 1.0 OG A:SER127 4.4 41.9 1.0 O A:GLY130 4.5 55.6 1.0 CA A:GLY129 4.5 49.2 1.0 O A:HOH742 4.7 47.2 1.0 C A:SER127 4.7 31.0 1.0 C A:THR131 4.8 43.8 1.0 C A:PRO133 4.8 42.1 1.0 CG A:PRO133 4.9 56.5 1.0 CA A:THR131 5.0 46.4 1.0

Chlorine binding site 2 out of 2 in the D262A/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 D262A/S128A S. Typhimurium Siroheme Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:38.3 occ:1.00 N B:GLY130 3.2 37.2 1.0 N B:SER132 3.2 36.0 1.0 N B:ALA128 3.3 30.6 1.0 C B:SER132 3.4 31.8 1.0 N B:PRO133 3.4 30.4 1.0 CA B:GLY130 3.5 45.4 1.0 C B:ALA128 3.6 34.1 1.0 CB B:ALA128 3.6 30.9 1.0 C B:GLY130 3.6 46.4 1.0 O B:HOH764 3.6 50.0 1.0 CA B:ALA128 3.6 35.7 1.0 N B:THR131 3.7 36.7 1.0 O B:SER132 3.7 30.1 1.0 CA B:PRO133 3.8 36.3 1.0 CA B:SER132 3.8 31.4 1.0 N B:GLY129 3.8 31.7 1.0 CD B:PRO133 3.8 39.0 1.0 O B:HOH876 3.8 54.4 1.0 O B:ALA128 3.9 30.5 1.0 C B:GLY129 4.2 40.0 1.0 C B:THR131 4.3 41.3 1.0 O B:GLY130 4.3 41.7 1.0 CB B:PRO133 4.4 38.6 1.0 OG B:SER127 4.5 38.0 1.0 C B:SER127 4.5 27.9 1.0 CA B:THR131 4.5 37.0 1.0 CB B:SER132 4.5 32.8 1.0 CA B:GLY129 4.6 42.2 1.0 O B:HOH886 4.6 61.3 1.0 OG1 B:THR131 4.7 32.9 1.0 CG B:PRO133 4.7 44.4 1.0 CB B:ALA136 4.8 32.5 1.0 CA B:SER127 4.8 30.6 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