Chlorine in PDB 9qdt: Cytochrome C Peroxidase Yhja

All present enzymatic activity of Cytochrome C Peroxidase Yhja:
1.11.1.5;

The structure of Cytochrome C Peroxidase Yhja, PDB code: 9qdt was solved by O.Einsle, A.Wuest, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.15 / 2.57
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.42, 101.42, 134.68, 90, 90, 90
R / Rfree (%)	17.2 / 22.2

The structure of Cytochrome C Peroxidase Yhja also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Iron	(Fe)	3 atoms

The binding sites of Chlorine atom in the Cytochrome C Peroxidase Yhja (pdb code 9qdt). 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 Cytochrome C Peroxidase Yhja, PDB code: 9qdt:

Chlorine binding site 1 out of 1 in the Cytochrome C Peroxidase Yhja


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cytochrome C Peroxidase Yhja within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:50.5 occ:1.00 NH1 A:ARG363 3.1 38.2 1.0 CG A:ARG363 3.3 43.2 1.0 N A:GLN110 3.5 34.4 1.0 CG A:GLN110 4.0 36.3 1.0 CB A:GLN110 4.0 36.9 1.0 CA A:SER109 4.1 35.0 1.0 OH A:TYR159 4.1 39.8 1.0 CB A:SER109 4.2 37.4 1.0 CZ A:ARG363 4.2 39.1 1.0 CB A:ARG363 4.3 40.6 1.0 CE1 A:TYR159 4.3 30.8 1.0 C A:SER109 4.3 33.4 1.0 CD A:ARG363 4.4 43.0 1.0 CA A:GLN110 4.4 37.6 1.0 CZ A:TYR159 4.5 35.8 1.0 NE A:ARG363 4.7 44.8 1.0 NE2 A:GLN110 5.0 33.2 1.0 O A:ARG363 5.0 30.9 1.0

P.Hewitt, J.Seidel, A.Wust, M.Smith, S.J.Maiocco, S.Shternberg, M.Hoffmann, T.Spatzal, S.Gerhardt, O.Einsle, S.J.Elliott. Escherichia Coli Triheme Enzyme Yhja: Structure and Reactivity. Biochemistry 2025.
ISSN: ISSN 0006-2960
PubMed: 40669070
DOI: 10.1021/ACS.BIOCHEM.5C00202