Chlorine in PDB 6p5x: Sirohydrochlorin-Bound S. Typhimurium Siroheme Synthase

All present enzymatic activity of Sirohydrochlorin-Bound S. Typhimurium Siroheme Synthase:
2.1.1.107;

The structure of Sirohydrochlorin-Bound S. Typhimurium Siroheme Synthase, PDB code: 6p5x 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)	38.38 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.061, 99.784, 145.463, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 22

The binding sites of Chlorine atom in the Sirohydrochlorin-Bound S. Typhimurium Siroheme Synthase (pdb code 6p5x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Sirohydrochlorin-Bound S. Typhimurium Siroheme Synthase, PDB code: 6p5x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Sirohydrochlorin-Bound 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 Sirohydrochlorin-Bound S. Typhimurium Siroheme Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:45.1 occ:1.00 OG1 B:THR345 3.2 38.3 1.0 O A:HOH602 3.2 44.4 0.9 N A:ARG309 3.3 38.4 1.0 CA A:PHE307 3.7 40.5 1.0 CA A:ARG309 3.7 39.9 1.0 N A:GLY308 3.8 44.5 1.0 O B:HOH653 3.8 42.3 1.0 C A:PHE307 3.9 45.1 1.0 CB B:THR345 4.0 38.1 1.0 C B:THR345 4.1 36.9 1.0 N B:HIS346 4.1 34.0 1.0 N A:PHE307 4.1 35.3 1.0 O B:THR345 4.1 35.3 1.0 O B:HOH668 4.2 45.4 1.0 CA B:HIS346 4.2 37.7 1.0 CG A:ARG309 4.2 48.2 1.0 N B:ARG347 4.4 38.7 1.0 C A:GLY308 4.4 47.4 1.0 CB A:ARG309 4.5 49.1 1.0 C B:HIS346 4.7 39.6 1.0 CA A:GLY308 4.7 42.7 1.0 O A:PHE307 4.7 41.8 1.0 CA B:THR345 4.7 32.1 1.0 C A:ARG309 4.9 40.0 1.0 CB A:PHE307 4.9 39.3 1.0 CD1 A:PHE307 5.0 39.6 1.0

Chlorine binding site 2 out of 2 in the Sirohydrochlorin-Bound 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 Sirohydrochlorin-Bound S. Typhimurium Siroheme Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:0.4 occ:1.00 O A:HOH704 2.9 67.8 1.0 O A:HOH697 2.9 52.8 1.0 N A:GLN400 3.4 51.7 1.0 CG A:GLN400 3.4 74.0 1.0 CE A:MET403 3.5 46.0 1.0 CG A:GLU374 3.8 76.2 1.0 CB A:GLN400 3.8 63.2 1.0 OE2 A:GLU374 3.9 81.5 1.0 CA A:MET399 4.1 33.9 1.0 CG A:MET399 4.2 36.0 1.0 CA A:GLN400 4.2 55.6 1.0 C A:MET399 4.3 41.7 1.0 CD A:GLU374 4.4 80.3 1.0 O A:GLY398 4.6 45.5 1.0 NH2 A:ARG443 4.6 66.0 1.0 CD A:GLN400 4.6 96.4 1.0 CB A:MET399 4.8 33.4 1.0 CB A:GLU374 4.9 65.8 1.0 OE1 A:GLN400 4.9 0.8 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