Magnesium 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:

Iron	(Fe)	16 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of Partially Reduced Rsrr in Space Group P2(1)2(1)2(1), PDB code: 6hsm:

Magnesium binding site 1 out of 1 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 Magnesium with other atoms in the Mg 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 B:Mg209 b:56.0 occ:0.50 O B:HOH335 1.7 33.2 0.5 O B:HOH335 2.2 35.6 0.5 NE2 B:HIS163 2.2 66.6 1.0 CD2 B:HIS163 3.1 65.2 1.0 CE1 B:HIS163 3.2 68.8 1.0 O B:LEU159 3.6 47.7 1.0 CB B:HIS162 4.0 66.6 1.0 ND1 B:HIS162 4.0 69.0 1.0 CG B:HIS163 4.3 65.9 1.0 CG2 A:VAL70 4.3 42.1 1.0 ND1 B:HIS163 4.3 69.0 1.0 CG B:HIS162 4.5 68.0 1.0 C B:LEU159 4.7 46.5 1.0 O B:HIS162 4.9 68.5 1.0 CA B:HIS162 4.9 63.6 1.0 CG1 A:VAL70 4.9 39.6 1.0 C B:HIS162 5.0 65.2 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