Magnesium in PDB 7q7j: Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 75 Mpa Helium Gas Pressure in A Sapphire Capillary

The structure of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 75 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 7q7j 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)	46.99 / 2.69
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.3, 102.3, 237.91, 90, 90, 90
R / Rfree (%)	17.9 / 23.1

The structure of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 75 Mpa Helium Gas Pressure in A Sapphire Capillary 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 75 Mpa Helium Gas Pressure in A Sapphire Capillary (pdb code 7q7j). 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 75 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 7q7j:
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 75 Mpa Helium Gas Pressure in A Sapphire Capillary


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 75 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:32.9 occ:1.00 MG L:BCL302 0.0 32.9 1.0 ND L:BCL302 2.0 30.9 1.0 NB L:BCL302 2.1 32.2 1.0 NC L:BCL302 2.1 32.1 1.0 NA L:BCL302 2.2 31.9 1.0 NE2 L:HIS153 2.2 34.4 1.0 C4D L:BCL302 3.0 31.7 1.0 C4B L:BCL302 3.1 32.6 1.0 C1B L:BCL302 3.1 31.9 1.0 C1C L:BCL302 3.1 32.5 1.0 C1D L:BCL302 3.1 31.9 1.0 C4A L:BCL302 3.1 31.9 1.0 C4C L:BCL302 3.2 31.9 1.0 CE1 L:HIS153 3.2 35.7 1.0 C1A L:BCL302 3.2 31.8 1.0 CD2 L:HIS153 3.2 35.4 1.0 HE1 L:HIS153 3.3 42.8 1.0 HD2 L:HIS153 3.4 42.4 1.0 CHC L:BCL302 3.4 32.4 1.0 CHB L:BCL302 3.4 31.8 1.0 CHA L:BCL302 3.5 31.8 1.0 CHD L:BCL302 3.5 32.6 1.0 HE2 M:TYR210 4.0 38.6 1.0 H202 L:BPH301 4.1 38.6 1.0 C3D L:BCL302 4.2 33.5 1.0 HBB2 L:BPH301 4.2 31.0 1.0 C2D L:BCL302 4.3 33.2 1.0 HBB3 L:BPH301 4.3 31.0 1.0 C2B L:BCL302 4.3 31.6 1.0 HBC1 L:BCL302 4.3 37.8 1.0 HD12 L:LEU154 4.3 42.0 1.0 ND1 L:HIS153 4.3 37.1 1.0 C3B L:BCL302 4.3 32.8 1.0 HD11 L:LEU154 4.3 42.0 1.0 HBA1 L:BCL302 4.4 42.1 1.0 CG L:HIS153 4.4 36.6 1.0 C2C L:BCL302 4.4 32.5 1.0 C3A L:BCL302 4.4 31.4 1.0 H201 L:BPH301 4.5 38.6 1.0 C3C L:BCL302 4.5 31.8 1.0 HHC L:BCL302 4.5 38.9 1.0 HHB L:BCL302 4.5 38.1 1.0 C2A L:BCL302 4.5 32.1 1.0 HHD L:BCL302 4.6 39.1 1.0 CBB L:BPH301 4.6 25.9 1.0 HBB1 L:BPH301 4.7 31.0 1.0 HMA1 L:BCL302 4.7 36.1 1.0 HMC1 L:BCL302 4.7 39.4 1.0 CD1 L:LEU154 4.7 35.0 1.0 HBA2 L:BCL302 4.8 42.1 1.0 C20 L:BPH301 4.9 32.1 1.0 HBC3 L:BCL302 4.9 37.8 1.0 CE2 M:TYR210 4.9 32.2 1.0 CBD L:BCL302 4.9 32.9 1.0 HD13 L:LEU154 4.9 42.0 1.0 HH M:TYR210 5.0 39.7 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 75 Mpa Helium Gas Pressure in A Sapphire Capillary


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 75 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg303 b:29.3 occ:1.00 MG L:BCL303 0.0 29.3 1.0 ND L:BCL303 2.0 33.2 1.0 NB L:BCL303 2.1 32.4 1.0 NC L:BCL303 2.1 34.3 1.0 NE2 L:HIS173 2.1 42.0 1.0 NA L:BCL303 2.2 31.3 1.0 HBB3 M:BCL402 2.7 43.7 1.0 CE1 L:HIS173 2.9 39.3 1.0 HE1 L:HIS173 2.9 47.2 1.0 C4D L:BCL303 3.0 33.4 1.0 C4B L:BCL303 3.1 33.7 1.0 C1B L:BCL303 3.1 32.6 1.0 C1C L:BCL303 3.1 36.2 1.0 C4A L:BCL303 3.1 31.3 1.0 C1D L:BCL303 3.2 34.5 1.0 C4C L:BCL303 3.2 34.3 1.0 C1A L:BCL303 3.2 31.7 1.0 CD2 L:HIS173 3.3 39.3 1.0 CHC L:BCL303 3.4 34.9 1.0 HBB2 M:BCL402 3.4 43.7 1.0 CHB L:BCL303 3.4 32.6 1.0 CBB M:BCL402 3.5 36.5 1.0 CHA L:BCL303 3.5 32.5 1.0 CHD L:BCL303 3.5 34.9 1.0 HD2 L:HIS173 3.6 47.2 1.0 HD2 L:PHE167 4.1 57.5 1.0 CAB M:BCL402 4.1 36.5 1.0 ND1 L:HIS173 4.1 39.4 1.0 C3D L:BCL303 4.2 33.9 1.0 C2B L:BCL303 4.3 31.8 1.0 CG L:HIS173 4.3 38.8 1.0 C2D L:BCL303 4.3 36.2 1.0 C3B L:BCL303 4.3 33.7 1.0 HBB1 M:BCL402 4.3 43.7 1.0 C3A L:BCL303 4.4 32.0 1.0 C2C L:BCL303 4.4 36.7 1.0 HD11 L:ILE177 4.5 38.0 1.0 HHC L:BCL303 4.5 41.9 1.0 C3C L:BCL303 4.5 35.0 1.0 HHB L:BCL303 4.5 39.1 1.0 C2A L:BCL303 4.5 31.8 1.0 HHD L:BCL303 4.6 41.9 1.0 OBB M:BCL402 4.6 35.5 1.0 HMB2 M:BCL402 4.6 43.1 1.0 C3B M:BCL402 4.7 36.8 1.0 HMA1 L:BCL303 4.7 38.0 1.0 HB3 L:PHE167 4.7 56.9 1.0 HMC1 L:BCL303 4.8 43.8 1.0 CD2 L:PHE167 4.8 47.9 1.0 HD1 L:HIS173 4.8 47.2 1.0 CBD L:BCL303 5.0 31.6 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 75 Mpa Helium Gas Pressure in A Sapphire Capillary


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 75 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg402 b:36.6 occ:1.00 MG M:BCL402 0.0 36.6 1.0 ND M:BCL402 2.0 34.9 1.0 NB M:BCL402 2.1 36.9 1.0 NC M:BCL402 2.1 37.2 1.0 NA M:BCL402 2.2 36.7 1.0 NE2 M:HIS202 2.4 27.5 1.0 C4D M:BCL402 3.0 34.6 1.0 C4B M:BCL402 3.1 36.0 1.0 C1C M:BCL402 3.1 36.3 1.0 C1B M:BCL402 3.1 36.5 1.0 C4A M:BCL402 3.1 36.3 1.0 C4C M:BCL402 3.1 35.9 1.0 C1D M:BCL402 3.2 34.7 1.0 C1A M:BCL402 3.2 35.4 1.0 CE1 M:HIS202 3.3 27.9 1.0 HBB1 L:BCL303 3.3 41.1 1.0 CD2 M:HIS202 3.3 28.1 1.0 HBB2 L:BCL303 3.4 41.1 1.0 CHC M:BCL402 3.4 35.4 1.0 CHB M:BCL402 3.4 36.6 1.0 HE1 M:HIS202 3.4 33.5 1.0 CHA M:BCL402 3.4 34.6 1.0 HD2 M:HIS202 3.5 33.7 1.0 CHD M:BCL402 3.5 34.5 1.0 CBB L:BCL303 3.7 34.3 1.0 CAB L:BCL303 3.8 33.3 1.0 OBB L:BCL303 3.9 31.3 1.0 HD11 M:ILE206 4.0 39.8 1.0 C3D M:BCL402 4.2 34.5 1.0 C2B M:BCL402 4.3 36.1 1.0 C3B M:BCL402 4.3 36.8 1.0 C2D M:BCL402 4.3 35.2 1.0 C2C M:BCL402 4.4 35.4 1.0 C3C M:BCL402 4.4 36.8 1.0 ND1 M:HIS202 4.4 28.6 1.0 C3A M:BCL402 4.4 35.2 1.0 C2A M:BCL402 4.5 35.3 1.0 HHC M:BCL402 4.5 42.4 1.0 CG M:HIS202 4.5 28.9 1.0 HHB M:BCL402 4.5 43.9 1.0 C3B L:BCL303 4.6 33.7 1.0 HD12 M:LEU196 4.6 54.5 1.0 HHD M:BCL402 4.6 41.4 1.0 HBB3 L:BCL303 4.7 41.1 1.0 HMC1 M:BCL402 4.7 41.3 1.0 CBD M:BCL402 4.9 33.6 1.0 CD1 M:ILE206 4.9 33.2 1.0 HMA1 M:BCL402 4.9 39.9 1.0 HG13 M:ILE206 4.9 38.7 1.0 O2D M:BCL402 4.9 31.2 1.0 HMB1 L:BCL303 5.0 36.2 1.0 H2A M:BCL402 5.0 42.4 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 75 Mpa Helium Gas Pressure in A Sapphire Capillary


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 75 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg403 b:30.1 occ:1.00 MG M:BCL403 0.0 30.1 1.0 ND M:BCL403 2.0 28.5 1.0 NB M:BCL403 2.1 28.4 1.0 NC M:BCL403 2.1 30.4 1.0 NA M:BCL403 2.2 30.2 1.0 NE2 M:HIS182 2.2 36.1 1.0 C4D M:BCL403 3.0 29.0 1.0 C4B M:BCL403 3.1 30.0 1.0 C1B M:BCL403 3.1 29.0 1.0 CE1 M:HIS182 3.1 38.7 1.0 C1C M:BCL403 3.1 31.3 1.0 C1D M:BCL403 3.1 29.1 1.0 C4A M:BCL403 3.1 29.8 1.0 C4C M:BCL403 3.2 30.9 1.0 C1A M:BCL403 3.2 31.1 1.0 CD2 M:HIS182 3.2 38.2 1.0 HE1 M:HIS182 3.2 46.4 1.0 CHC M:BCL403 3.4 30.0 1.0 CHB M:BCL403 3.4 28.6 1.0 HD2 M:HIS182 3.4 45.8 1.0 CHA M:BCL403 3.5 30.5 1.0 CHD M:BCL403 3.5 29.8 1.0 H3A M:OLC408 3.9 58.4 0.5 HM52 M:SPN409 4.0 59.3 0.6 HBB3 M:BPH304 4.1 33.0 1.0 C3D M:BCL403 4.2 29.2 1.0 HE2 L:PHE181 4.2 44.1 1.0 ND1 M:HIS182 4.2 39.6 1.0 C2B M:BCL403 4.3 29.8 1.0 C2D M:BCL403 4.3 29.3 1.0 C3B M:BCL403 4.3 32.2 1.0 CG M:HIS182 4.3 39.1 1.0 HBA2 M:BCL403 4.3 47.2 1.0 HBB2 M:BPH304 4.4 33.0 1.0 C2C M:BCL403 4.4 32.3 1.0 C3A M:BCL403 4.4 31.4 1.0 C3C M:BCL403 4.4 32.1 1.0 HHB M:BCL403 4.5 34.3 1.0 HHC M:BCL403 4.5 35.9 1.0 C2A M:BCL403 4.5 32.7 1.0 HHD M:BCL403 4.6 35.7 1.0 HMA1 M:BCL403 4.6 37.0 1.0 HBC1 M:BCL403 4.6 41.3 1.0 H141 M:SPN409 4.6 57.8 0.6 HD23 M:LEU183 4.7 53.5 1.0 CBB M:BPH304 4.7 27.5 1.0 HMC1 M:BCL403 4.8 40.0 1.0 HM53 M:SPN409 4.9 59.3 0.6 CM5 M:SPN409 4.9 49.4 0.6 CBD M:BCL403 4.9 30.8 1.0 HBB1 M:BPH304 4.9 33.0 1.0 C3 M:OLC408 4.9 48.7 0.5 H41 M:BCL402 4.9 45.2 1.0 H3C M:BCL403 5.0 38.5 1.0 HD1 M:HIS182 5.0 47.5 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.