Magnesium in PDB 4in6: (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center

The structure of (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center, PDB code: 4in6 was solved by R.G.Saer, A.Hardjasa, M.E.P.Murphy, J.T.Beatty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.62 / 2.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.028, 139.028, 184.345, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 22.3

The structure of (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center (pdb code 4in6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center, PDB code: 4in6:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg303 b:37.0 occ:1.00 MG L:BCL303 0.0 37.0 1.0 ND L:BCL303 2.0 39.4 1.0 NA L:BCL303 2.0 38.1 1.0 NC L:BCL303 2.0 38.7 1.0 NB L:BCL303 2.1 38.6 1.0 NE2 L:HIS173 2.3 27.9 1.0 C4D L:BCL303 2.9 38.9 1.0 C4A L:BCL303 2.9 36.2 1.0 C1A L:BCL303 3.0 39.1 1.0 C1C L:BCL303 3.0 36.8 1.0 C4C L:BCL303 3.0 36.8 1.0 C1B L:BCL303 3.0 36.2 1.0 C4B L:BCL303 3.1 37.5 1.0 C1D L:BCL303 3.1 40.8 1.0 CE1 L:HIS173 3.2 26.5 1.0 CD2 L:HIS173 3.3 30.5 1.0 CHB L:BCL303 3.3 37.2 1.0 OBB M:BCL402 3.4 52.9 1.0 CHA L:BCL303 3.4 37.9 1.0 CHC L:BCL303 3.4 36.8 1.0 CHD L:BCL303 3.5 39.9 1.0 CAB M:BCL402 3.6 43.4 1.0 CBB M:BCL402 3.8 38.5 1.0 C3D L:BCL303 4.2 40.1 1.0 C3A L:BCL303 4.3 36.7 1.0 C2D L:BCL303 4.3 35.4 1.0 C2A L:BCL303 4.3 38.5 1.0 C3C L:BCL303 4.3 34.4 1.0 C2C L:BCL303 4.3 34.6 1.0 C3B L:BCL303 4.4 41.6 1.0 ND1 L:HIS173 4.4 28.2 1.0 C2B L:BCL303 4.4 42.1 1.0 C3B M:BCL402 4.4 43.0 1.0 CG L:HIS173 4.4 28.6 1.0 CD1 L:PHE167 4.7 42.5 1.0 CBD L:BCL303 4.9 37.1 1.0 CMA L:BCL303 4.9 39.0 1.0

Magnesium binding site 2 out of 4 in the (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg308 b:28.8 occ:1.00 MG L:BCL308 0.0 28.8 1.0 ND L:BCL308 2.0 23.6 1.0 NA L:BCL308 2.0 28.3 1.0 NC L:BCL308 2.0 28.5 1.0 NB L:BCL308 2.1 27.9 1.0 NE2 L:HIS153 2.5 39.7 1.0 C4D L:BCL308 2.9 26.2 1.0 C4A L:BCL308 3.0 28.5 1.0 C1A L:BCL308 3.0 30.3 1.0 C1C L:BCL308 3.0 28.1 1.0 C4C L:BCL308 3.0 28.8 1.0 C1B L:BCL308 3.0 28.7 1.0 C4B L:BCL308 3.1 27.7 1.0 C1D L:BCL308 3.1 24.0 1.0 CD2 L:HIS153 3.3 37.1 1.0 CHB L:BCL308 3.4 28.0 1.0 CHA L:BCL308 3.4 30.6 1.0 CHC L:BCL308 3.4 28.5 1.0 CHD L:BCL308 3.5 24.7 1.0 CE1 L:HIS153 3.6 40.0 1.0 C3D L:BCL308 4.1 27.3 1.0 OBB L:BPH301 4.2 47.7 1.0 C3A L:BCL308 4.3 30.6 1.0 C2D L:BCL308 4.3 25.1 1.0 C2C L:BCL308 4.3 29.9 1.0 C2A L:BCL308 4.3 28.7 1.0 C3B L:BCL308 4.4 28.3 1.0 C2B L:BCL308 4.4 27.8 1.0 C3C L:BCL308 4.4 30.0 1.0 CE2 M:TYR210 4.5 33.9 1.0 CG L:HIS153 4.5 39.3 1.0 ND1 L:HIS153 4.6 43.0 1.0 CBA L:BCL308 4.7 35.3 1.0 CBC L:BCL308 4.8 36.5 1.0 C20 L:BPH301 4.8 38.0 1.0 CD1 L:LEU154 4.8 41.1 1.0 CBD L:BCL308 4.9 31.4 1.0 CMA L:BCL308 4.9 31.8 1.0

Magnesium binding site 3 out of 4 in the (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg401 b:32.6 occ:1.00 MG M:BCL401 0.0 32.6 1.0 NA M:BCL401 2.0 32.5 1.0 ND M:BCL401 2.0 30.1 1.0 NC M:BCL401 2.0 32.9 1.0 NB M:BCL401 2.0 33.3 1.0 NE2 M:HIS182 2.3 38.2 1.0 C4D M:BCL401 2.9 29.9 1.0 C1A M:BCL401 3.0 32.7 1.0 C4A M:BCL401 3.0 32.4 1.0 C1C M:BCL401 3.0 33.1 1.0 C1B M:BCL401 3.0 31.9 1.0 C4C M:BCL401 3.0 31.0 1.0 C4B M:BCL401 3.1 33.7 1.0 C1D M:BCL401 3.1 32.4 1.0 CE1 M:HIS182 3.2 40.1 1.0 CD2 M:HIS182 3.3 47.7 1.0 CHA M:BCL401 3.3 31.6 1.0 CHB M:BCL401 3.4 30.4 1.0 CHC M:BCL401 3.4 30.5 1.0 CHD M:BCL401 3.6 30.7 1.0 C3D M:BCL401 4.1 34.7 1.0 C2D M:BCL401 4.3 33.0 1.0 C2A M:BCL401 4.3 36.7 1.0 C3A M:BCL401 4.3 34.6 1.0 C3B M:BCL401 4.3 39.1 1.0 C2B M:BCL401 4.3 34.5 1.0 C2C M:BCL401 4.3 32.9 1.0 ND1 M:HIS182 4.3 38.1 1.0 C3C M:BCL401 4.4 32.8 1.0 CG M:HIS182 4.4 43.1 1.0 OBB M:BPH406 4.6 48.2 1.0 CE2 L:PHE181 4.7 37.4 1.0 CBD M:BCL401 4.8 34.0 1.0 CBA M:BCL401 4.8 41.5 1.0

Magnesium binding site 4 out of 4 in the (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of (M)L214A Mutant of the Rhodobacter Sphaeroides Reaction Center within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg402 b:40.3 occ:1.00 MG M:BCL402 0.0 40.3 1.0 NB M:BCL402 2.0 43.5 1.0 NC M:BCL402 2.0 39.1 1.0 NA M:BCL402 2.0 42.1 1.0 ND M:BCL402 2.0 36.4 1.0 NE2 M:HIS202 2.3 31.8 1.0 C4D M:BCL402 2.9 39.2 1.0 C1B M:BCL402 3.0 43.4 1.0 C4A M:BCL402 3.0 36.7 1.0 C4C M:BCL402 3.0 35.5 1.0 C1C M:BCL402 3.0 39.3 1.0 C1A M:BCL402 3.0 38.3 1.0 C4B M:BCL402 3.1 42.1 1.0 C1D M:BCL402 3.1 37.9 1.0 CBB L:BCL303 3.2 38.3 1.0 CE1 M:HIS202 3.2 35.6 1.0 CHB M:BCL402 3.3 38.7 1.0 CD2 M:HIS202 3.4 34.5 1.0 CHC M:BCL402 3.4 37.3 1.0 CHA M:BCL402 3.4 36.2 1.0 CHD M:BCL402 3.5 38.5 1.0 CAB L:BCL303 3.7 39.9 1.0 OBB L:BCL303 4.0 38.1 1.0 C3D M:BCL402 4.2 40.7 1.0 C2B M:BCL402 4.3 41.5 1.0 C3A M:BCL402 4.3 33.5 1.0 C3B M:BCL402 4.3 43.0 1.0 C3C M:BCL402 4.3 33.0 1.0 C2C M:BCL402 4.3 35.3 1.0 C2A M:BCL402 4.4 36.4 1.0 C2D M:BCL402 4.4 40.7 1.0 ND1 M:HIS202 4.4 32.4 1.0 C3B L:BCL303 4.5 41.6 1.0 CG M:HIS202 4.5 32.3 1.0 CBD M:BCL402 4.9 34.8 1.0

R.G.Saer, A.Hardjasa, F.I.Rosell, A.G.Mauk, M.E.Murphy, J.T.Beatty. Role of Rhodobacter Sphaeroides Photosynthetic Reaction Center Residue M214 in the Composition, Absorbance Properties, and Conformations of Ha and Ba Cofactors. Biochemistry V. 52 2206 2013.
ISSN: ISSN 0006-2960
PubMed: 23480277
DOI: 10.1021/BI400207M