Chlorine in PDB 6hsm: Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1)

The structure of Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1), PDB code: 6hsm was solved by A.Volbeda, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.66 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.650, 129.840, 170.300, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23

The structure of Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1) also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Iron	(Fe)	16 atoms

The binding sites of Chlorine atom in the Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1) (pdb code 6hsm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1), PDB code: 6hsm:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl208 b:54.9 occ:0.50 N D:ALA109 3.1 50.2 1.0 CB D:LYS108 3.6 68.4 1.0 CB D:ALA109 3.7 45.1 1.0 CA D:LYS108 3.7 63.5 1.0 C D:LYS108 3.9 57.3 1.0 CA D:ALA109 4.0 46.2 1.0 NE D:ARG114 4.2 46.2 1.0 CG D:LYS108 4.4 75.0 1.0 CG D:ARG114 4.6 43.4 1.0 O D:ALA109 4.6 43.5 1.0 CD D:ARG114 4.7 45.5 1.0 C D:ALA109 4.8 43.4 1.0 CM D:MPD202 4.9 72.8 1.0 CD D:LYS108 5.0 79.0 1.0 NH1 D:ARG114 5.0 48.6 1.0

Chlorine binding site 2 out of 3 in the Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl208 b:66.6 occ:1.00 O B:HOH364 3.2 36.0 1.0 N B:ALA69 3.5 36.3 1.0 CA B:PRO68 3.7 39.3 1.0 CB B:PRO68 3.8 40.4 1.0 C B:PRO68 4.1 38.0 1.0 C4 D:MPD204 4.1 73.6 1.0 CB B:ALA69 4.3 36.2 1.0 CA B:ALA69 4.5 35.9 1.0 O4 D:MPD204 4.7 75.5 1.0 CB D:ALA129 4.8 38.2 1.0 C3 D:MPD204 4.8 71.1 1.0 CG B:PRO68 4.9 41.3 1.0 C5 D:MPD204 4.9 72.8 1.0 N B:PRO68 4.9 39.6 1.0

Chlorine binding site 3 out of 3 in the Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1) within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl205 b:67.4 occ:1.00 N F:ALA69 3.5 40.9 1.0 O F:HOH348 3.6 52.2 1.0 CA F:PRO68 3.9 42.7 1.0 CB F:ALA69 4.0 42.4 1.0 C F:PRO68 4.2 41.6 1.0 CB F:THR18 4.2 42.4 1.0 CB F:PRO68 4.3 44.6 1.0 CA F:ALA69 4.3 41.0 1.0 CG2 F:THR18 4.4 41.2 1.0 O F:HOH360 4.4 53.0 1.0 CA F:THR18 4.6 43.1 1.0 O F:THR18 4.7 48.7 1.0

A.Volbeda, M.T.P.Martinez, J.C.Crack, P.Amara, O.Gigarel, J.T.Munnoch, M.I.Hutchings, C.Darnault, N.E.Le Brun, J.C.Fontecilla-Camps. Crystal Structure of the Transcription Regulator Rsrr Reveals A [2FE-2S] Cluster Coordinated By Cys, Glu, and His Residues. J. Am. Chem. Soc. V. 141 2367 2019.
ISSN: ESSN 1520-5126
PubMed: 30657661
DOI: 10.1021/JACS.8B10823