Chlorine in PDB 5vjt: De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations

The structure of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations, PDB code: 5vjt 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)	41.21 / 1.45
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.747, 43.747, 245.522, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23.6

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

Iron	(Fe)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations (pdb code 5vjt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations, PDB code: 5vjt:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(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 Zn(II) Cations within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:22.6 occ:1.00 O A:HOH414 3.1 24.8 1.0 NE2 A:GLN58 3.3 16.7 1.0 OG A:SER45 3.3 22.0 1.0 O A:SER45 3.8 15.8 1.0 N A:GLU46 3.8 17.7 1.0 C A:SER45 3.9 16.8 1.0 CA A:GLU46 3.9 21.2 1.0 CE A:LYS54 4.0 16.3 1.0 NZ A:LYS54 4.1 16.2 1.0 CG A:GLU46 4.1 38.3 1.0 CG A:GLN58 4.1 15.9 1.0 CB A:SER45 4.1 17.6 1.0 CD A:GLN58 4.2 17.1 1.0 CA A:SER45 4.7 14.6 1.0 CB A:GLU46 4.7 26.9 1.0 CG A:LYS54 5.0 18.9 1.0

Chlorine binding site 2 out of 3 in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:18.9 occ:1.00 ZN A:ZN201 2.3 15.1 0.9 O A:HOH419 3.2 49.5 1.0 NE2 A:HIS138 3.4 12.3 1.0 OD1 A:ASP134 3.4 16.2 1.0 CD2 A:HIS138 3.4 14.9 1.0 OD2 A:ASP63 3.4 17.2 1.0 CE A:LYS59 3.7 21.4 1.0 CE A:LYS137 3.9 30.7 1.0 CB A:LYS137 3.9 18.2 1.0 CD1 A:LEU141 4.0 15.5 1.0 O A:HOH353 4.1 33.6 1.0 CD A:LYS137 4.2 24.2 1.0 CG A:LYS59 4.3 15.5 1.0 CD A:LYS59 4.4 19.3 1.0 NZ A:LYS137 4.5 36.9 1.0 NZ A:LYS59 4.5 22.0 1.0 CG A:ASP134 4.6 16.2 1.0 CG A:ASP63 4.6 17.0 1.0 CE1 A:HIS138 4.7 15.1 1.0 CG A:LYS137 4.7 21.3 1.0 CG A:HIS138 4.8 14.3 1.0 C A:LYS137 4.9 15.5 1.0 CG A:LEU141 5.0 13.7 1.0

Chlorine binding site 3 out of 3 in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:27.1 occ:1.00 N A:ARG49 3.1 17.7 1.0 N A:ASN50 3.3 17.6 1.0 O A:HOH470 3.3 32.6 1.0 CA A:ALA48 3.7 19.9 1.0 CB A:ASN50 3.8 19.4 1.0 C A:ALA48 3.9 19.6 1.0 CA A:ARG49 4.0 20.7 1.0 CD A:LYS53 4.1 23.7 1.0 C A:ARG49 4.1 18.1 1.0 CB A:ALA48 4.1 17.6 1.0 CA A:ASN50 4.2 17.2 1.0 O A:HOH438 4.4 27.4 1.0 CB A:ARG49 4.4 21.8 1.0 O A:HOH401 4.5 48.9 1.0 CB A:LYS53 4.6 15.5 1.0 O A:HOH367 4.8 26.2 1.0 CG A:LYS53 4.8 22.4 1.0 O A:ASN50 4.9 18.3 1.0 O A:LYS47 5.0 21.8 1.0 N A:ALA48 5.0 17.4 1.0

N.M.Ennist, Z.Zhao, S.E.Stayrook, P.L.Dutton, C.C.Moser. Design, Structure, and Action of An Artificial Photosynthetic Reaction Center Protein To Be Published.