Chlorine in PDB 6kum: Ferredoxin I From C. Reinhardtii, Low X-Ray Dose

The structure of Ferredoxin I From C. Reinhardtii, Low X-Ray Dose, PDB code: 6kum was solved by Y.Onishi, G.Kurisu, H.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.74 / 1.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	25.878, 32.326, 49.915, 72.38, 78.06, 72.39
R / Rfree (%)	17.1 / 19

The structure of Ferredoxin I From C. Reinhardtii, Low X-Ray Dose also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Ferredoxin I From C. Reinhardtii, Low X-Ray Dose (pdb code 6kum). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ferredoxin I From C. Reinhardtii, Low X-Ray Dose, PDB code: 6kum:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ferredoxin I From C. Reinhardtii, Low X-Ray Dose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ferredoxin I From C. Reinhardtii, Low X-Ray Dose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl104 b:30.1 occ:1.00 O B:HOH294 2.6 25.5 1.0 O B:LYS2 2.8 10.5 1.0 OG1 B:THR4 2.9 12.7 1.0 O B:CYS83 3.3 10.6 1.0 C B:LYS2 3.6 10.3 1.0 N B:THR4 3.6 9.8 1.0 CB B:THR4 3.8 12.2 1.0 CB B:LYS2 3.8 39.6 1.0 N B:CYS83 3.9 10.3 1.0 O B:HOH219 4.0 35.6 1.0 C B:CYS83 4.1 10.8 1.0 CB B:ASP82 4.2 10.1 1.0 N B:VAL3 4.2 8.6 1.0 CA B:THR4 4.3 11.1 1.0 C B:VAL3 4.3 11.1 1.0 CA B:LYS2 4.3 9.9 1.0 CA B:VAL3 4.4 9.2 1.0 OG1 B:THR84 4.5 10.6 1.0 C B:ASP82 4.5 10.1 1.0 CA B:CYS83 4.6 10.6 1.0 CG2 B:THR13 4.6 19.4 1.0 CA B:ASP82 4.6 9.9 1.0 O B:HOH217 4.7 19.7 1.0 CG B:ASP82 4.8 10.0 1.0 N B:THR84 4.9 10.2 1.0 OD2 B:ASP82 5.0 10.2 1.0

Chlorine binding site 2 out of 2 in the Ferredoxin I From C. Reinhardtii, Low X-Ray Dose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ferredoxin I From C. Reinhardtii, Low X-Ray Dose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl105 b:30.1 occ:1.00 O B:ALA18 2.8 7.5 1.0 O B:PRO79 2.9 7.2 1.0 C B:ALA18 3.6 8.3 1.0 CB B:TYR78 3.6 8.0 1.0 CB B:ALA18 3.7 7.5 1.0 CA B:ALA18 3.7 7.8 1.0 CG2 B:THR80 3.7 7.7 1.0 C B:PRO79 4.0 6.7 1.0 CG B:TYR78 4.4 8.0 1.0 CA B:THR80 4.5 7.6 1.0 N B:THR80 4.6 7.4 1.0 C B:TYR78 4.6 7.1 1.0 CB B:THR80 4.7 7.5 1.0 N B:PRO79 4.8 6.4 1.0 CA B:TYR78 4.8 7.1 1.0 N B:ASP19 4.8 10.1 1.0 O B:TYR78 4.9 6.8 1.0 CD2 B:TYR78 4.9 8.3 1.0 CD1 B:TYR78 5.0 7.5 1.0 CE2 B:TYR1 5.0 8.5 1.0

Y.Ohnishi, N.Muraki, D.Kiyota, H.Okumura, S.Baba, Y.Kawano, T.Kumasaka, H.Tanaka, G.Kurisu. X-Ray Dose-Dependent Structural Changes of the [2FE-2S] Ferredoxin From Chlamydomonas Reinhardtii. J.Biochem. 2020.
ISSN: ISSN 0021-924X
PubMed: 32282907
DOI: 10.1093/JB/MVAA045