Chlorine in PDB 8d9p: De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) Cations

The structure of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) Cations, PDB code: 8d9p was solved by N.M.Ennist, S.E.Stayrook, P.L.Dutton, C.C.Moser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.25 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.968, 44.968, 238.295, 90, 90, 90
R / Rfree (%)	21.9 / 24.3

The structure of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) Cations also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Iron	(Fe)	1 atom

The binding sites of Chlorine atom in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) Cations (pdb code 8d9p). 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 De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) Cations, PDB code: 8d9p:

Chlorine binding site 1 out of 1 in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) Cations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) Cations within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:49.1 occ:1.00 N A:ARG49 3.6 23.4 1.0 O A:HOH367 3.6 44.5 1.0 N A:ASN50 3.6 35.1 1.0 CB A:ARG49 3.8 31.8 1.0 CB A:ASN50 4.1 26.5 1.0 CA A:ARG49 4.1 25.3 1.0 CD A:LYS53 4.2 62.9 1.0 C A:ARG49 4.4 32.2 1.0 NZ A:LYS53 4.5 77.3 1.0 CA A:ASN50 4.5 28.9 1.0 C A:ALA48 4.6 29.9 1.0 CA A:ALA48 4.6 28.4 1.0 CE A:LYS53 4.7 54.8 1.0

N.M.Ennist, S.E.Stayrook, P.L.Dutton, C.C.Moser. Rational Design of Photosynthetic Reaction Center Protein Maquettes. Front Mol Biosci V. 9 97295 2022.
ISSN: ESSN 2296-889X
PubMed: 36213121
DOI: 10.3389/FMOLB.2022.997295