Chlorine in PDB 6kol: Crystal Structure of Auracyanin From Photosynthetic Bacterium Roseiflexus Castenholzii

The structure of Crystal Structure of Auracyanin From Photosynthetic Bacterium Roseiflexus Castenholzii, PDB code: 6kol was solved by C.Wang, C.Y.Zhang, Z.Z.Min, Y.Y.Xin, X.L.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.89 / 2.21
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	30.890, 57.912, 65.347, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 23.8

The structure of Crystal Structure of Auracyanin From Photosynthetic Bacterium Roseiflexus Castenholzii also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Auracyanin From Photosynthetic Bacterium Roseiflexus Castenholzii (pdb code 6kol). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Auracyanin From Photosynthetic Bacterium Roseiflexus Castenholzii, PDB code: 6kol:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Auracyanin From Photosynthetic Bacterium Roseiflexus Castenholzii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Auracyanin From Photosynthetic Bacterium Roseiflexus Castenholzii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:55.0 occ:1.00 ND2 A:ASN78 2.8 25.8 1.0 O A:ASP103 2.9 28.2 1.0 O A:THR116 2.9 27.9 1.0 N A:MET118 3.0 20.8 1.0 C A:LYS117 3.1 29.1 1.0 CB A:ASN78 3.4 25.4 1.0 CA A:LYS117 3.5 31.4 1.0 O A:LYS117 3.5 25.5 1.0 CA A:MET118 3.6 22.9 1.0 CD1 A:LEU105 3.6 32.2 1.0 CG A:ASN78 3.6 26.2 1.0 CG A:LEU105 3.7 29.9 1.0 C A:THR116 3.8 29.2 1.0 C A:ASP103 3.8 30.6 1.0 CB A:MET118 3.9 28.3 1.0 CB A:ASP103 4.0 30.4 1.0 CA A:ASP103 4.0 30.7 1.0 CE A:MET118 4.1 24.5 1.0 N A:LYS117 4.1 25.5 1.0 CD2 A:LEU105 4.2 32.6 1.0 OD1 A:ASP103 4.4 34.4 1.0 CG A:ASP103 4.6 38.7 1.0 CB A:LYS117 4.8 31.4 1.0 OG1 A:THR142 4.8 25.3 1.0 OD1 A:ASN78 4.8 23.7 1.0 SD A:MET118 4.8 25.4 1.0 OG1 A:THR116 4.9 26.8 1.0 CG A:MET118 4.9 23.6 1.0 CA A:ASN78 4.9 24.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Auracyanin From Photosynthetic Bacterium Roseiflexus Castenholzii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Auracyanin From Photosynthetic Bacterium Roseiflexus Castenholzii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:62.9 occ:1.00 N A:THR38 3.3 29.1 1.0 OG1 A:THR38 3.4 29.3 1.0 OG A:SER37 3.4 41.5 1.0 CA A:SER37 3.9 30.3 1.0 C A:SER37 4.1 31.4 1.0 CB A:THR38 4.2 27.8 1.0 CB A:SER37 4.2 32.2 1.0 CA A:THR38 4.3 30.4 1.0 CG2 A:THR38 4.4 27.6 1.0 OG1 A:THR39 4.5 40.1 1.0 N A:THR39 4.7 30.6 1.0 O A:ALA36 4.8 36.8 1.0 C A:THR38 4.9 30.3 1.0

C.Wang, Y.Y.Xin, Z.Z.Min, J.Qi, C.Y.Zhang, X.L.Xu. Structural Basis Underlying the Electron Transfer Features of A Blue Copper Protein Auracyanin From the Photosynthetic Bacterium Roseiflexus Castenholzii. Photosyn. Res. 2020.
ISSN: ISSN 1573-5079
PubMed: 31933173
DOI: 10.1007/S11120-020-00709-Y