Magnesium in PDB 7q7g: Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 30 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 30 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 7q7g 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)	47.05 / 2.69
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.44, 102.44, 238.16, 90, 90, 90
R / Rfree (%)	17.5 / 22.4

The structure of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 30 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 30 Mpa Helium Gas Pressure in A Sapphire Capillary (pdb code 7q7g). 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 30 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 7q7g:
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 30 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 30 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:34.9 occ:1.00 MG L:BCL302 0.0 34.9 1.0 ND L:BCL302 2.0 34.6 1.0 NB L:BCL302 2.1 33.8 1.0 NC L:BCL302 2.1 34.4 1.0 NA L:BCL302 2.2 35.5 1.0 NE2 L:HIS153 2.2 40.6 1.0 C4D L:BCL302 3.0 35.7 1.0 C4B L:BCL302 3.1 33.4 1.0 C1B L:BCL302 3.1 32.9 1.0 C1C L:BCL302 3.1 34.2 1.0 C1D L:BCL302 3.1 35.2 1.0 C4A L:BCL302 3.1 35.2 1.0 C4C L:BCL302 3.2 34.4 1.0 CE1 L:HIS153 3.2 42.1 1.0 CD2 L:HIS153 3.2 41.7 1.0 C1A L:BCL302 3.2 36.2 1.0 HE1 L:HIS153 3.4 50.5 1.0 HD2 L:HIS153 3.4 50.1 1.0 CHC L:BCL302 3.4 33.4 1.0 CHB L:BCL302 3.4 33.4 1.0 CHA L:BCL302 3.5 36.6 1.0 CHD L:BCL302 3.5 35.6 1.0 HE2 M:TYR210 4.0 39.3 1.0 HBB2 L:BPH301 4.2 34.9 1.0 C3D L:BCL302 4.2 36.8 1.0 HBC1 L:BCL302 4.2 43.3 1.0 HBB3 L:BPH301 4.2 34.9 1.0 H202 L:BPH301 4.3 59.0 1.0 C2D L:BCL302 4.3 35.2 1.0 ND1 L:HIS153 4.3 43.5 1.0 H201 L:BPH301 4.3 59.0 1.0 C2B L:BCL302 4.3 32.5 1.0 HD11 L:LEU154 4.3 52.6 1.0 HD12 L:LEU154 4.3 52.6 1.0 C3B L:BCL302 4.3 33.2 1.0 CG L:HIS153 4.3 42.4 1.0 HBA1 L:BCL302 4.4 46.3 1.0 C2C L:BCL302 4.4 34.3 1.0 C3A L:BCL302 4.4 35.4 1.0 C3C L:BCL302 4.5 34.1 1.0 HHC L:BCL302 4.5 40.1 1.0 C2A L:BCL302 4.5 36.4 1.0 HHB L:BCL302 4.5 40.1 1.0 HHD L:BCL302 4.6 42.8 1.0 CBB L:BPH301 4.6 29.1 1.0 HBB1 L:BPH301 4.6 34.9 1.0 CD1 L:LEU154 4.7 43.8 1.0 HBA2 L:BCL302 4.7 46.3 1.0 HMA1 L:BCL302 4.8 41.6 1.0 HMC1 L:BCL302 4.8 40.7 1.0 H193 L:BPH301 4.8 59.6 1.0 C20 L:BPH301 4.8 49.1 1.0 HBC3 L:BCL302 4.9 43.3 1.0 CE2 M:TYR210 4.9 32.7 1.0 CBD L:BCL302 4.9 38.4 1.0 H192 L:BPH301 4.9 59.6 1.0 CBC L:BCL302 5.0 36.1 1.0 HD13 L:LEU154 5.0 52.6 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 30 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 30 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg303 b:32.7 occ:1.00 MG L:BCL303 0.0 32.7 1.0 ND L:BCL303 2.0 38.2 1.0 NB L:BCL303 2.1 36.4 1.0 NE2 L:HIS173 2.1 47.3 1.0 NC L:BCL303 2.1 38.6 1.0 NA L:BCL303 2.2 36.2 1.0 HE1 L:HIS173 2.6 53.0 1.0 HBB3 M:BCL402 2.7 52.1 1.0 CE1 L:HIS173 2.7 44.1 1.0 C4D L:BCL303 3.0 39.4 1.0 C4B L:BCL303 3.1 37.7 1.0 C1B L:BCL303 3.1 36.8 1.0 C1C L:BCL303 3.1 40.5 1.0 C4A L:BCL303 3.1 36.2 1.0 C1D L:BCL303 3.2 39.0 1.0 C4C L:BCL303 3.2 40.1 1.0 C1A L:BCL303 3.2 37.6 1.0 CD2 L:HIS173 3.4 44.1 1.0 CHC L:BCL303 3.4 39.7 1.0 CHB L:BCL303 3.4 36.6 1.0 CHA L:BCL303 3.5 39.3 1.0 CHD L:BCL303 3.5 40.4 1.0 CBB M:BCL402 3.6 43.4 1.0 HBB2 M:BCL402 3.7 52.1 1.0 HD2 L:HIS173 3.8 53.0 1.0 ND1 L:HIS173 4.0 44.7 1.0 HD2 L:PHE167 4.1 60.3 1.0 CAB M:BCL402 4.2 44.2 1.0 C3D L:BCL303 4.2 39.5 1.0 CG L:HIS173 4.3 43.9 1.0 C2B L:BCL303 4.3 36.1 1.0 C2D L:BCL303 4.3 40.4 1.0 C3B L:BCL303 4.3 37.4 1.0 C3A L:BCL303 4.4 37.4 1.0 C2C L:BCL303 4.4 42.1 1.0 HBB1 M:BCL402 4.4 52.1 1.0 C3C L:BCL303 4.5 41.9 1.0 HD11 L:ILE177 4.5 52.2 1.0 HHB L:BCL303 4.5 44.0 1.0 HHC L:BCL303 4.5 47.6 1.0 C2A L:BCL303 4.5 37.7 1.0 HHD L:BCL303 4.6 48.5 1.0 HMB2 M:BCL402 4.6 54.7 1.0 HD1 L:HIS173 4.6 53.6 1.0 HMA1 L:BCL303 4.7 45.8 1.0 C3B M:BCL402 4.7 45.6 1.0 HB3 L:PHE167 4.8 60.2 1.0 HMC1 L:BCL303 4.8 49.9 1.0 OBB M:BCL402 4.8 42.1 1.0 CD2 L:PHE167 4.8 50.2 1.0 CBD L:BCL303 5.0 38.5 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 30 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 30 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg402 b:45.5 occ:1.00 MG M:BCL402 0.0 45.5 1.0 ND M:BCL402 2.0 44.4 1.0 NB M:BCL402 2.1 46.4 1.0 NC M:BCL402 2.1 46.1 1.0 NA M:BCL402 2.2 44.8 1.0 NE2 M:HIS202 2.4 34.3 1.0 C4D M:BCL402 3.0 44.1 1.0 C4B M:BCL402 3.1 45.8 1.0 C1B M:BCL402 3.1 45.8 1.0 C1C M:BCL402 3.1 45.9 1.0 C4A M:BCL402 3.1 45.0 1.0 C1D M:BCL402 3.2 44.8 1.0 C4C M:BCL402 3.2 45.7 1.0 C1A M:BCL402 3.2 43.9 1.0 HBB1 L:BCL303 3.3 46.3 1.0 CD2 M:HIS202 3.3 34.9 1.0 CE1 M:HIS202 3.4 35.0 1.0 CHC M:BCL402 3.4 45.6 1.0 CHA M:BCL402 3.4 43.8 1.0 CHB M:BCL402 3.4 45.8 1.0 HD2 M:HIS202 3.5 41.9 1.0 HBB2 L:BCL303 3.5 46.3 1.0 CHD M:BCL402 3.5 45.2 1.0 HE1 M:HIS202 3.5 42.0 1.0 CBB L:BCL303 3.7 38.6 1.0 CAB L:BCL303 3.9 37.4 1.0 OBB L:BCL303 4.0 35.1 1.0 HD11 M:ILE206 4.1 45.9 1.0 C3D M:BCL402 4.2 44.4 1.0 C2B M:BCL402 4.3 45.5 1.0 C3B M:BCL402 4.3 45.6 1.0 C2D M:BCL402 4.3 44.9 1.0 C2C M:BCL402 4.4 46.6 1.0 C3C M:BCL402 4.4 46.5 1.0 C3A M:BCL402 4.4 44.5 1.0 HHC M:BCL402 4.5 54.7 1.0 HD12 M:LEU196 4.5 49.3 1.0 ND1 M:HIS202 4.5 35.4 1.0 C2A M:BCL402 4.5 44.2 1.0 CG M:HIS202 4.5 34.8 1.0 HHB M:BCL402 4.5 55.0 1.0 C3B L:BCL303 4.6 37.4 1.0 HHD M:BCL402 4.6 54.3 1.0 HMC1 M:BCL402 4.7 56.7 1.0 HBB3 L:BCL303 4.8 46.3 1.0 CBD M:BCL402 4.9 44.5 1.0 HMA1 M:BCL402 4.9 52.5 1.0 HG13 M:ILE206 4.9 43.6 1.0 CD1 M:ILE206 4.9 38.2 1.0 HMB1 L:BCL303 5.0 41.7 1.0 O2D M:BCL402 5.0 43.7 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 30 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 30 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg403 b:38.1 occ:1.00 MG M:BCL403 0.0 38.1 1.0 ND M:BCL403 2.0 38.0 1.0 NB M:BCL403 2.1 35.8 1.0 NC M:BCL403 2.1 37.1 1.0 NA M:BCL403 2.2 39.9 1.0 NE2 M:HIS182 2.2 41.9 1.0 C4D M:BCL403 3.0 38.8 1.0 C4B M:BCL403 3.1 35.6 1.0 C1B M:BCL403 3.1 34.9 1.0 C1C M:BCL403 3.1 36.1 1.0 C1D M:BCL403 3.1 38.5 1.0 C4A M:BCL403 3.1 38.5 1.0 CE1 M:HIS182 3.1 42.4 1.0 C4C M:BCL403 3.2 37.2 1.0 C1A M:BCL403 3.2 40.3 1.0 CD2 M:HIS182 3.2 42.4 1.0 HE1 M:HIS182 3.3 50.9 1.0 CHC M:BCL403 3.4 35.3 1.0 HD2 M:HIS182 3.4 50.9 1.0 CHB M:BCL403 3.4 36.0 1.0 CHA M:BCL403 3.5 40.6 1.0 CHD M:BCL403 3.5 37.4 1.0 C3D M:BCL403 4.2 39.6 1.0 HE2 L:PHE181 4.2 44.1 1.0 HBB3 M:BPH304 4.3 44.4 1.0 HBA2 M:BCL403 4.3 56.6 1.0 ND1 M:HIS182 4.3 43.7 1.0 C2B M:BCL403 4.3 34.1 1.0 C2D M:BCL403 4.3 39.3 1.0 C3B M:BCL403 4.3 35.0 1.0 CG M:HIS182 4.3 43.6 1.0 H2 M:OLC407 4.4 63.1 0.5 C3A M:BCL403 4.4 39.5 1.0 C2C M:BCL403 4.4 35.9 1.0 HBB2 M:BPH304 4.4 44.4 1.0 C3C M:BCL403 4.5 36.5 1.0 H3A M:OLC407 4.5 65.4 0.5 HHB M:BCL403 4.5 43.2 1.0 HHC M:BCL403 4.5 42.4 1.0 HBC1 M:BCL403 4.5 44.6 1.0 C2A M:BCL403 4.5 41.2 1.0 HM53 M:SPN408 4.5 65.0 0.5 HHD M:BCL403 4.5 44.9 1.0 HMA1 M:BCL403 4.6 47.6 1.0 HM52 M:SPN408 4.6 65.0 0.5 HD23 M:LEU183 4.6 63.2 1.0 CBB M:BPH304 4.8 37.0 1.0 H3 M:OLC407 4.9 65.4 0.5 HMC1 M:BCL403 4.9 43.4 1.0 CBD M:BCL403 4.9 42.4 1.0 H3C M:BCL403 5.0 43.8 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.