Magnesium in PDB 7q7h: Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 51 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 51 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 7q7h 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 / 2.49
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.29, 102.29, 237.99, 90, 90, 90
R / Rfree (%)	17.7 / 21.2

The structure of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 51 Mpa Helium Gas Pressure in A Sapphire Capillary also contains other interesting chemical elements:

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 51 Mpa Helium Gas Pressure in A Sapphire Capillary (pdb code 7q7h). 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 51 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 7q7h:
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 51 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 51 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:32.3 occ:1.00 MG L:BCL302 0.0 32.3 1.0 ND L:BCL302 2.0 32.2 1.0 NB L:BCL302 2.1 32.4 1.0 NC L:BCL302 2.1 32.4 1.0 NA L:BCL302 2.2 31.2 1.0 NE2 L:HIS153 2.2 37.1 1.0 C4D L:BCL302 3.0 32.0 1.0 C4B L:BCL302 3.1 32.2 1.0 C1B L:BCL302 3.1 32.2 1.0 C1C L:BCL302 3.1 33.8 1.0 C4A L:BCL302 3.1 31.3 1.0 C1D L:BCL302 3.1 32.8 1.0 C4C L:BCL302 3.2 32.5 1.0 CE1 L:HIS153 3.2 37.7 1.0 C1A L:BCL302 3.2 30.6 1.0 CD2 L:HIS153 3.2 36.9 1.0 HE1 L:HIS153 3.3 45.3 1.0 HD2 L:HIS153 3.4 44.2 1.0 CHC L:BCL302 3.4 33.0 1.0 CHB L:BCL302 3.4 32.1 1.0 CHA L:BCL302 3.5 32.1 1.0 CHD L:BCL302 3.5 33.2 1.0 HE2 M:TYR210 4.0 41.9 1.0 HBB2 L:BPH301 4.1 36.8 1.0 HBC1 L:BCL302 4.1 38.6 1.0 C3D L:BCL302 4.2 32.3 1.0 HBB3 L:BPH301 4.3 36.8 1.0 HD11 L:LEU154 4.3 50.1 1.0 HD12 L:LEU154 4.3 50.1 1.0 ND1 L:HIS153 4.3 39.4 1.0 H202 L:BPH301 4.3 48.0 1.0 C2D L:BCL302 4.3 32.1 1.0 C2B L:BCL302 4.3 32.7 1.0 C3B L:BCL302 4.3 32.1 1.0 CG L:HIS153 4.3 37.6 1.0 H201 L:BPH301 4.4 48.0 1.0 C2C L:BCL302 4.4 33.7 1.0 C3A L:BCL302 4.4 30.0 1.0 C3C L:BCL302 4.5 32.2 1.0 C2A L:BCL302 4.5 31.8 1.0 HHC L:BCL302 4.5 39.5 1.0 HHB L:BCL302 4.5 38.5 1.0 HBA1 L:BCL302 4.5 41.0 1.0 CBB L:BPH301 4.6 30.7 1.0 HBA2 L:BCL302 4.6 41.0 1.0 HHD L:BCL302 4.6 39.8 1.0 HBB1 L:BPH301 4.6 36.8 1.0 CD1 L:LEU154 4.7 41.7 1.0 HMA1 L:BCL302 4.7 37.3 1.0 HMC1 L:BCL302 4.8 41.7 1.0 C20 L:BPH301 4.9 40.0 1.0 CBD L:BCL302 4.9 34.1 1.0 CE2 M:TYR210 4.9 34.9 1.0 HD13 L:LEU154 5.0 50.1 1.0 H192 L:BPH301 5.0 49.6 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 51 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 51 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg303 b:33.1 occ:1.00 MG L:BCL303 0.0 33.1 1.0 ND L:BCL303 2.0 36.9 1.0 NB L:BCL303 2.1 35.2 1.0 NC L:BCL303 2.1 37.1 1.0 NE2 L:HIS173 2.1 49.3 1.0 NA L:BCL303 2.2 34.4 1.0 HBB3 M:BCL402 2.7 48.8 1.0 CE1 L:HIS173 2.9 47.9 1.0 HE1 L:HIS173 2.9 57.5 1.0 C4D L:BCL303 3.0 37.3 1.0 C1B L:BCL303 3.1 35.5 1.0 C4B L:BCL303 3.1 35.0 1.0 C1C L:BCL303 3.1 37.0 1.0 C4A L:BCL303 3.1 33.7 1.0 C1D L:BCL303 3.1 37.0 1.0 C4C L:BCL303 3.2 36.6 1.0 C1A L:BCL303 3.2 35.7 1.0 CD2 L:HIS173 3.3 46.7 1.0 CHC L:BCL303 3.4 35.2 1.0 CHB L:BCL303 3.4 35.2 1.0 HBB2 M:BCL402 3.5 48.8 1.0 CHA L:BCL303 3.5 37.1 1.0 CBB M:BCL402 3.5 40.6 1.0 CHD L:BCL303 3.5 36.4 1.0 HD2 L:HIS173 3.7 56.0 1.0 ND1 L:HIS173 4.1 47.9 1.0 CAB M:BCL402 4.1 40.0 1.0 HD2 L:PHE167 4.1 57.2 1.0 C3D L:BCL303 4.2 37.3 1.0 C2B L:BCL303 4.3 33.7 1.0 C2D L:BCL303 4.3 38.4 1.0 C3B L:BCL303 4.3 34.3 1.0 CG L:HIS173 4.3 45.6 1.0 HBB1 M:BCL402 4.4 48.8 1.0 C3A L:BCL303 4.4 35.6 1.0 C2C L:BCL303 4.4 36.0 1.0 C3C L:BCL303 4.5 36.1 1.0 HD11 L:ILE177 4.5 47.4 1.0 HHB L:BCL303 4.5 42.2 1.0 HHC L:BCL303 4.5 42.3 1.0 C2A L:BCL303 4.5 35.6 1.0 HHD L:BCL303 4.6 43.6 1.0 OBB M:BCL402 4.6 37.5 1.0 HMA1 L:BCL303 4.7 43.8 1.0 C3B M:BCL402 4.7 40.4 1.0 HB3 L:PHE167 4.7 56.2 1.0 HMB2 M:BCL402 4.8 46.2 1.0 HD1 L:HIS173 4.8 57.5 1.0 CD2 L:PHE167 4.8 47.7 1.0 HMC1 L:BCL303 4.8 43.0 1.0 CBD L:BCL303 5.0 37.0 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 51 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 51 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg402 b:39.8 occ:1.00 MG M:BCL402 0.0 39.8 1.0 ND M:BCL402 2.0 39.3 1.0 NB M:BCL402 2.1 40.0 1.0 NC M:BCL402 2.1 40.5 1.0 NA M:BCL402 2.2 41.0 1.0 NE2 M:HIS202 2.4 30.1 1.0 C4D M:BCL402 3.0 39.4 1.0 C4B M:BCL402 3.1 40.9 1.0 C1B M:BCL402 3.1 40.1 1.0 C1C M:BCL402 3.1 40.1 1.0 C4A M:BCL402 3.1 40.3 1.0 C4C M:BCL402 3.1 40.0 1.0 C1D M:BCL402 3.1 39.5 1.0 C1A M:BCL402 3.2 39.1 1.0 HBB1 L:BCL303 3.3 42.8 1.0 CE1 M:HIS202 3.3 30.3 1.0 HBB2 L:BCL303 3.4 42.8 1.0 CHC M:BCL402 3.4 40.5 1.0 CHB M:BCL402 3.4 40.2 1.0 CHA M:BCL402 3.4 38.6 1.0 CD2 M:HIS202 3.4 30.2 1.0 HE1 M:HIS202 3.4 36.4 1.0 CHD M:BCL402 3.5 38.7 1.0 HD2 M:HIS202 3.6 36.2 1.0 CBB L:BCL303 3.7 35.6 1.0 CAB L:BCL303 3.8 34.5 1.0 OBB L:BCL303 3.9 31.2 1.0 C3D M:BCL402 4.2 39.1 1.0 HD11 M:ILE206 4.3 37.8 1.0 C2B M:BCL402 4.3 39.3 1.0 C3B M:BCL402 4.3 40.4 1.0 C2D M:BCL402 4.3 38.6 1.0 C2C M:BCL402 4.4 40.6 1.0 C3C M:BCL402 4.4 40.4 1.0 C3A M:BCL402 4.4 40.0 1.0 C2A M:BCL402 4.5 38.6 1.0 HHC M:BCL402 4.5 48.6 1.0 ND1 M:HIS202 4.5 31.2 1.0 HHB M:BCL402 4.5 48.3 1.0 C3B L:BCL303 4.5 34.3 1.0 HD12 M:LEU196 4.5 53.1 1.0 HMC1 M:BCL402 4.5 49.4 1.0 CG M:HIS202 4.6 30.8 1.0 HHD M:BCL402 4.6 46.4 1.0 HBB3 L:BCL303 4.7 42.8 1.0 CBD M:BCL402 4.9 38.8 1.0 HMB1 L:BCL303 4.9 37.5 1.0 HG13 M:ILE206 5.0 37.0 1.0 H2A M:BCL402 5.0 46.3 1.0 HAC1 M:BCL402 5.0 50.3 1.0 HHC L:BCL303 5.0 42.3 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 51 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 51 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg403 b:36.9 occ:1.00 MG M:BCL403 0.0 36.9 1.0 ND M:BCL403 2.0 35.8 1.0 NB M:BCL403 2.1 35.7 1.0 NC M:BCL403 2.1 35.1 1.0 NA M:BCL403 2.2 38.5 1.0 NE2 M:HIS182 2.2 37.5 1.0 C4D M:BCL403 3.0 35.9 1.0 C1B M:BCL403 3.1 36.0 1.0 C4B M:BCL403 3.1 34.5 1.0 C1C M:BCL403 3.1 35.0 1.0 CD2 M:HIS182 3.1 37.9 1.0 C1D M:BCL403 3.1 36.5 1.0 C4A M:BCL403 3.1 36.4 1.0 C4C M:BCL403 3.1 35.9 1.0 C1A M:BCL403 3.2 37.9 1.0 HD2 M:HIS182 3.2 45.5 1.0 CE1 M:HIS182 3.3 38.9 1.0 CHB M:BCL403 3.4 36.8 1.0 CHC M:BCL403 3.4 33.4 1.0 CHA M:BCL403 3.5 37.2 1.0 CHD M:BCL403 3.5 35.9 1.0 HE1 M:HIS182 3.5 46.7 1.0 HM53 M:SPN410 3.9 65.1 0.6 H3A M:OLC409 3.9 63.6 0.4 HBB3 M:BPH404 4.2 41.5 1.0 C3D M:BCL403 4.2 36.6 1.0 HE2 L:PHE181 4.3 46.0 1.0 C2B M:BCL403 4.3 34.9 1.0 C2D M:BCL403 4.3 37.5 1.0 CG M:HIS182 4.3 40.9 1.0 C3B M:BCL403 4.3 36.9 1.0 HBB2 M:BPH404 4.3 41.5 1.0 ND1 M:HIS182 4.3 40.0 1.0 HBA2 M:BCL403 4.3 52.7 1.0 C3A M:BCL403 4.4 37.7 1.0 C2C M:BCL403 4.4 35.0 1.0 C3C M:BCL403 4.5 35.3 1.0 HHB M:BCL403 4.5 44.2 1.0 C2A M:BCL403 4.5 39.3 1.0 HHC M:BCL403 4.5 40.1 1.0 HHD M:BCL403 4.6 43.0 1.0 HD23 M:LEU183 4.6 53.6 1.0 HMA1 M:BCL403 4.6 45.0 1.0 HBC1 M:BCL403 4.6 45.5 1.0 CBB M:BPH404 4.8 34.6 1.0 H141 M:SPN410 4.8 62.7 0.6 CBD M:BCL403 4.9 37.3 1.0 HMC1 M:BCL403 4.9 41.9 1.0 HD21 M:LEU183 4.9 53.6 1.0 CM5 M:SPN410 5.0 54.3 0.6 H41 M:BCL402 5.0 50.3 1.0 H4 M:OLC409 5.0 65.4 0.4

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.