Magnesium in PDB 7q7f: Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure

The structure of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure, PDB code: 7q7f was solved by J.Lieske, S.Guenther, S.Saouane, G.K.Selikhanov, A.G.Gabdulkhakov, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.07 / 2.75
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.5, 102.5, 237.84, 90, 90, 90
R / Rfree (%)	17.9 / 22.4

The structure of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Iron	(Fe)	1 atom

The binding sites of Magnesium atom in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure (pdb code 7q7f). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure, PDB code: 7q7f:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:38.3 occ:1.00 MG L:BCL302 0.0 38.3 1.0 ND L:BCL302 2.0 38.0 1.0 NB L:BCL302 2.1 37.8 1.0 NC L:BCL302 2.1 38.0 1.0 NA L:BCL302 2.2 38.4 1.0 NE2 L:HIS153 2.2 42.5 1.0 C4D L:BCL302 3.0 38.6 1.0 C4B L:BCL302 3.1 37.8 1.0 C1B L:BCL302 3.1 37.7 1.0 C1C L:BCL302 3.1 38.0 1.0 C1D L:BCL302 3.1 38.3 1.0 C4A L:BCL302 3.1 38.2 1.0 C4C L:BCL302 3.2 37.7 1.0 CE1 L:HIS153 3.2 43.3 1.0 C1A L:BCL302 3.2 38.4 1.0 CD2 L:HIS153 3.2 43.2 1.0 HE1 L:HIS153 3.3 51.9 1.0 HD2 L:HIS153 3.4 51.8 1.0 CHC L:BCL302 3.4 37.7 1.0 CHB L:BCL302 3.4 37.6 1.0 CHA L:BCL302 3.5 39.0 1.0 CHD L:BCL302 3.5 37.4 1.0 HE2 M:TYR210 4.1 50.1 1.0 HBB2 L:BPH301 4.1 44.8 1.0 C3D L:BCL302 4.2 39.3 1.0 HBC1 L:BCL302 4.2 47.4 1.0 ND1 L:HIS153 4.3 44.5 1.0 C2D L:BCL302 4.3 38.5 1.0 C2B L:BCL302 4.3 37.7 1.0 C3B L:BCL302 4.3 38.3 1.0 HD12 L:LEU154 4.3 57.4 1.0 CG L:HIS153 4.4 44.1 1.0 HD11 L:LEU154 4.4 57.4 1.0 H202 L:BPH301 4.4 52.6 1.0 H201 L:BPH301 4.4 52.6 1.0 HBA1 L:BCL302 4.4 53.3 1.0 C2C L:BCL302 4.4 39.0 1.0 C3A L:BCL302 4.4 37.2 1.0 C3C L:BCL302 4.5 38.4 1.0 HBB3 L:BPH301 4.5 44.8 1.0 HHC L:BCL302 4.5 45.2 1.0 C2A L:BCL302 4.5 38.6 1.0 HHB L:BCL302 4.5 45.1 1.0 HBB1 L:BPH301 4.6 44.8 1.0 HHD L:BCL302 4.6 44.8 1.0 CBB L:BPH301 4.6 37.4 1.0 HMA1 L:BCL302 4.7 43.4 1.0 HBA2 L:BCL302 4.7 53.3 1.0 CD1 L:LEU154 4.8 47.9 1.0 HMC1 L:BCL302 4.8 48.2 1.0 HBC3 L:BCL302 4.8 47.4 1.0 H192 L:BPH301 4.9 55.5 1.0 H193 L:BPH301 4.9 55.5 1.0 CBD L:BCL302 4.9 40.5 1.0 C20 L:BPH301 4.9 43.9 1.0 CE2 M:TYR210 4.9 41.8 1.0 CBC L:BCL302 5.0 39.5 1.0

Magnesium binding site 2 out of 4 in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg303 b:42.8 occ:1.00 MG L:BCL303 0.0 42.8 1.0 ND L:BCL303 2.0 41.1 1.0 NB L:BCL303 2.1 40.3 1.0 NC L:BCL303 2.1 43.6 1.0 NE2 L:HIS173 2.1 51.0 1.0 NA L:BCL303 2.2 39.0 1.0 HE1 L:HIS173 2.8 63.7 1.0 HBB3 M:BCL402 2.8 56.4 1.0 CE1 L:HIS173 2.8 53.1 1.0 C4D L:BCL303 3.0 43.7 1.0 C1B L:BCL303 3.1 42.1 1.0 C4B L:BCL303 3.1 43.9 1.0 C1C L:BCL303 3.1 47.0 1.0 C4A L:BCL303 3.1 40.8 1.0 C1D L:BCL303 3.1 44.7 1.0 C4C L:BCL303 3.2 47.3 1.0 C1A L:BCL303 3.2 41.3 1.0 CD2 L:HIS173 3.3 52.3 1.0 CHC L:BCL303 3.4 45.4 1.0 CHB L:BCL303 3.4 41.4 1.0 CHA L:BCL303 3.5 43.4 1.0 CHD L:BCL303 3.5 46.7 1.0 HD2 L:HIS173 3.7 62.7 1.0 CBB M:BCL402 3.8 47.0 1.0 HBB2 M:BCL402 4.0 56.4 1.0 ND1 L:HIS173 4.0 53.1 1.0 HD2 L:PHE167 4.1 62.7 1.0 CAB M:BCL402 4.1 47.1 1.0 C3D L:BCL303 4.2 44.3 1.0 C2B L:BCL303 4.3 42.0 1.0 C2D L:BCL303 4.3 45.4 1.0 CG L:HIS173 4.3 50.9 1.0 C3B L:BCL303 4.3 43.2 1.0 C3A L:BCL303 4.4 40.9 1.0 C2C L:BCL303 4.4 48.1 1.0 C3C L:BCL303 4.5 48.4 1.0 HHB L:BCL303 4.5 49.6 1.0 HHC L:BCL303 4.5 54.4 1.0 C2A L:BCL303 4.5 40.5 1.0 OBB M:BCL402 4.6 46.0 1.0 HHD L:BCL303 4.6 56.0 1.0 HD11 L:ILE177 4.6 57.6 1.0 HBB1 M:BCL402 4.6 56.4 1.0 HMA1 L:BCL303 4.6 49.4 1.0 HMB2 M:BCL402 4.6 54.9 1.0 C3B M:BCL402 4.7 47.9 1.0 HB3 L:PHE167 4.7 65.1 1.0 HD1 L:HIS173 4.8 63.7 1.0 CD2 L:PHE167 4.8 52.3 1.0 HMC1 L:BCL303 4.9 57.1 1.0 CBD L:BCL303 5.0 41.9 1.0

Magnesium binding site 3 out of 4 in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg402 b:46.7 occ:1.00 MG M:BCL402 0.0 46.7 1.0 ND M:BCL402 2.0 44.7 1.0 NB M:BCL402 2.1 47.1 1.0 NC M:BCL402 2.1 47.4 1.0 NA M:BCL402 2.2 45.3 1.0 NE2 M:HIS202 2.4 35.7 1.0 C4D M:BCL402 3.0 44.9 1.0 C4B M:BCL402 3.1 47.9 1.0 C1B M:BCL402 3.1 46.6 1.0 C1C M:BCL402 3.1 47.4 1.0 C4A M:BCL402 3.1 44.9 1.0 C1D M:BCL402 3.1 45.0 1.0 C4C M:BCL402 3.2 46.8 1.0 C1A M:BCL402 3.2 44.3 1.0 CE1 M:HIS202 3.2 35.8 1.0 HE1 M:HIS202 3.3 42.9 1.0 HBB1 L:BCL303 3.3 51.5 1.0 CHC M:BCL402 3.4 47.0 1.0 CHA M:BCL402 3.4 44.6 1.0 CHB M:BCL402 3.4 45.7 1.0 CD2 M:HIS202 3.5 36.2 1.0 CHD M:BCL402 3.5 45.7 1.0 HBB2 L:BCL303 3.5 51.5 1.0 HD2 M:HIS202 3.7 43.5 1.0 CBB L:BCL303 3.7 42.9 1.0 CAB L:BCL303 3.9 42.2 1.0 OBB L:BCL303 3.9 40.0 1.0 HD11 M:ILE206 4.2 49.0 1.0 C3D M:BCL402 4.2 44.8 1.0 C2B M:BCL402 4.3 46.9 1.0 C3B M:BCL402 4.3 47.9 1.0 C2D M:BCL402 4.3 44.6 1.0 C2C M:BCL402 4.4 47.9 1.0 ND1 M:HIS202 4.4 36.6 1.0 C3A M:BCL402 4.4 43.7 1.0 C3C M:BCL402 4.4 47.8 1.0 HHC M:BCL402 4.5 56.4 1.0 C2A M:BCL402 4.5 43.3 1.0 HHB M:BCL402 4.5 54.8 1.0 CG M:HIS202 4.5 36.8 1.0 C3B L:BCL303 4.6 43.2 1.0 HHD M:BCL402 4.6 54.8 1.0 HMC1 M:BCL402 4.6 58.1 1.0 HD12 M:LEU196 4.7 58.8 1.0 HBB3 L:BCL303 4.8 51.5 1.0 HMA1 M:BCL402 4.8 51.9 1.0 CBD M:BCL402 4.9 44.9 1.0 HG13 M:ILE206 4.9 47.7 1.0 CD1 M:ILE206 5.0 40.9 1.0 HMB1 L:BCL303 5.0 48.8 1.0 H2A M:BCL402 5.0 51.9 1.0

Magnesium binding site 4 out of 4 in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at Atmospheric Pressure within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg403 b:38.9 occ:1.00 MG M:BCL403 0.0 38.9 1.0 ND M:BCL403 2.0 37.9 1.0 NB M:BCL403 2.1 37.9 1.0 NC M:BCL403 2.1 38.3 1.0 NA M:BCL403 2.2 40.1 1.0 NE2 M:HIS182 2.2 44.5 1.0 CE1 M:HIS182 3.0 44.9 1.0 C4D M:BCL403 3.0 38.2 1.0 HE1 M:HIS182 3.1 53.8 1.0 C4B M:BCL403 3.1 38.0 1.0 C1B M:BCL403 3.1 37.6 1.0 C1C M:BCL403 3.1 38.7 1.0 C4A M:BCL403 3.1 40.0 1.0 C1D M:BCL403 3.1 37.7 1.0 C4C M:BCL403 3.1 37.4 1.0 C1A M:BCL403 3.2 41.1 1.0 CD2 M:HIS182 3.3 45.2 1.0 CHC M:BCL403 3.4 37.3 1.0 CHB M:BCL403 3.4 37.8 1.0 CHA M:BCL403 3.5 39.8 1.0 CHD M:BCL403 3.5 37.1 1.0 HD2 M:HIS182 3.6 54.2 1.0 HM52 M:SPN409 3.9 67.6 0.5 H3A M:OLC408 3.9 66.4 0.5 HBB3 M:BPH304 4.1 51.0 1.0 ND1 M:HIS182 4.2 46.1 1.0 HBA2 M:BCL403 4.2 56.2 1.0 C3D M:BCL403 4.2 38.4 1.0 C2B M:BCL403 4.3 38.1 1.0 C2D M:BCL403 4.3 38.0 1.0 C3B M:BCL403 4.3 40.0 1.0 HE2 L:PHE181 4.3 51.0 1.0 HBB2 M:BPH304 4.3 51.0 1.0 CG M:HIS182 4.3 46.3 1.0 C3A M:BCL403 4.4 41.2 1.0 C2C M:BCL403 4.4 39.2 1.0 C3C M:BCL403 4.4 38.2 1.0 C2A M:BCL403 4.5 42.2 1.0 HHB M:BCL403 4.5 45.4 1.0 HHC M:BCL403 4.5 44.8 1.0 HHD M:BCL403 4.6 44.4 1.0 H141 M:SPN409 4.6 66.7 0.5 HMA1 M:BCL403 4.6 48.7 1.0 HD23 M:LEU183 4.6 62.6 1.0 CBB M:BPH304 4.7 42.6 1.0 HBC1 M:BCL403 4.7 46.1 1.0 HM53 M:SPN409 4.8 67.6 0.5 CM5 M:SPN409 4.8 56.4 0.5 HBB1 M:BPH304 4.9 51.0 1.0 HD1 M:HIS182 4.9 55.2 1.0 C3 M:OLC408 4.9 55.4 0.5 HMC1 M:BCL403 4.9 48.2 1.0 CBD M:BCL403 4.9 39.6 1.0 H3C M:BCL403 5.0 45.8 1.0 H41 M:BCL402 5.0 54.8 1.0 HD21 M:LEU183 5.0 62.6 1.0

J.Lieske, S.Saouane, S.Guenther, J.Meyer, T.Pakendorf, B.Reime, A.Burkhardt, E.Crosas, J.Hakanpaeae, K.Stachnik, J.Sieg, M.Rarey, M.H.Abdellatif, A.G.Gabdulkhakov, G.K.Selikhanov, H.N.Chapman, A.Meents. Fixed-Target High-Pressure Macromolecular Crystallography To Be Published.