Magnesium in PDB 3du3: E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center

The structure of E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center, PDB code: 3du3 was solved by P.R.Pokkuluri, M.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.100, 141.100, 187.800, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 20.1

The structure of E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center (pdb code 3du3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center, PDB code: 3du3:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg502 b:29.6 occ:1.00 MG L:BCL502 0.0 29.6 1.0 ND L:BCL502 2.0 29.8 1.0 NB L:BCL502 2.1 29.0 1.0 NC L:BCL502 2.1 29.6 1.0 NA L:BCL502 2.2 30.0 1.0 NE2 L:HIS173 2.2 26.4 1.0 C4D L:BCL502 3.0 28.9 1.0 C1B L:BCL502 3.1 30.3 1.0 CE1 L:HIS173 3.1 28.7 1.0 C4B L:BCL502 3.1 29.3 1.0 C1D L:BCL502 3.1 26.3 1.0 C4A L:BCL502 3.1 31.5 1.0 CD2 L:HIS173 3.1 21.3 1.0 C1C L:BCL502 3.1 33.0 1.0 C4C L:BCL502 3.2 25.2 1.0 C1A L:BCL502 3.2 31.0 1.0 CHB L:BCL502 3.5 33.0 1.0 CHC L:BCL502 3.5 32.6 1.0 CHD L:BCL502 3.5 24.1 1.0 CHA L:BCL502 3.5 28.6 1.0 OBB M:BCL502 3.6 48.6 1.0 CAB M:BCL502 3.8 37.3 1.0 CBB M:BCL502 4.0 40.4 1.0 ND1 L:HIS173 4.2 22.8 1.0 C3D L:BCL502 4.2 26.5 1.0 C2B L:BCL502 4.3 29.0 1.0 CG L:HIS173 4.3 25.1 1.0 C2D L:BCL502 4.3 25.8 1.0 C3B L:BCL502 4.3 30.1 1.0 C3A L:BCL502 4.4 34.0 1.0 C2C L:BCL502 4.4 26.8 1.0 C3C L:BCL502 4.5 21.6 1.0 C2A L:BCL502 4.5 31.8 1.0 C3B M:BCL502 4.5 31.4 1.0 CD2 L:PHE167 4.9 31.0 1.0 CMA L:BCL502 4.9 30.8 1.0 CBD L:BCL502 5.0 27.9 1.0

Magnesium binding site 2 out of 4 in the E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg501 b:24.4 occ:1.00 MG L:BCL501 0.0 24.4 1.0 ND L:BCL501 2.0 19.5 1.0 NB L:BCL501 2.1 18.8 1.0 NC L:BCL501 2.1 18.7 1.0 NA L:BCL501 2.2 18.2 1.0 NE2 L:HIS153 2.5 32.8 1.0 C4D L:BCL501 3.0 23.0 1.0 C1D L:BCL501 3.0 20.1 1.0 C1B L:BCL501 3.1 20.6 1.0 C4B L:BCL501 3.1 22.8 1.0 C1C L:BCL501 3.1 23.4 1.0 C4C L:BCL501 3.1 21.6 1.0 C4A L:BCL501 3.1 18.9 1.0 C1A L:BCL501 3.2 22.1 1.0 CD2 L:HIS153 3.3 32.9 1.0 CHC L:BCL501 3.4 20.1 1.0 CHB L:BCL501 3.4 17.6 1.0 CHD L:BCL501 3.4 18.3 1.0 CE1 L:HIS153 3.5 37.0 1.0 CHA L:BCL501 3.5 22.5 1.0 C3D L:BCL501 4.2 24.5 1.0 C2D L:BCL501 4.3 24.9 1.0 C2B L:BCL501 4.3 21.4 1.0 CBB L:BPH503 4.3 22.3 1.0 C3B L:BCL501 4.3 23.9 1.0 C3C L:BCL501 4.4 21.1 1.0 C2C L:BCL501 4.4 23.4 1.0 C3A L:BCL501 4.4 20.4 1.0 C2A L:BCL501 4.5 22.3 1.0 CG L:HIS153 4.5 35.6 1.0 ND1 L:HIS153 4.6 37.8 1.0 CE2 M:TYR210 4.7 36.3 1.0 CBA L:BCL501 4.9 28.3 1.0 CAC L:BCL501 4.9 28.1 1.0 CBD L:BCL501 5.0 27.1 1.0

Magnesium binding site 3 out of 4 in the E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg501 b:21.9 occ:1.00 MG M:BCL501 0.0 21.9 1.0 ND M:BCL501 2.0 22.0 1.0 NB M:BCL501 2.1 23.6 1.0 NC M:BCL501 2.1 21.1 1.0 NA M:BCL501 2.2 20.1 1.0 NE2 M:HIS182 2.2 40.0 1.0 C4D M:BCL501 3.0 21.0 1.0 C1B M:BCL501 3.1 24.0 1.0 CD2 M:HIS182 3.1 39.2 1.0 C1D M:BCL501 3.1 22.9 1.0 C4B M:BCL501 3.1 25.1 1.0 C4C M:BCL501 3.1 20.7 1.0 C1C M:BCL501 3.1 23.4 1.0 C4A M:BCL501 3.2 24.2 1.0 C1A M:BCL501 3.2 23.2 1.0 CE1 M:HIS182 3.2 37.2 1.0 CHB M:BCL501 3.5 19.1 1.0 CHA M:BCL501 3.5 21.4 1.0 CHD M:BCL501 3.5 21.4 1.0 CHC M:BCL501 3.5 23.1 1.0 C3D M:BCL501 4.2 23.5 1.0 CG M:HIS182 4.3 38.1 1.0 C2B M:BCL501 4.3 25.7 1.0 C2D M:BCL501 4.3 22.5 1.0 ND1 M:HIS182 4.3 42.5 1.0 C3B M:BCL501 4.3 25.0 1.0 C3C M:BCL501 4.4 24.4 1.0 C2C M:BCL501 4.4 25.0 1.0 C3A M:BCL501 4.5 23.8 1.0 C2A M:BCL501 4.5 24.5 1.0 CBB M:BPH503 4.8 35.3 1.0 CE2 L:PHE181 4.9 27.1 1.0 CBD M:BCL501 5.0 25.6 1.0 CBA M:BCL501 5.0 40.5 1.0

Magnesium binding site 4 out of 4 in the E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg502 b:28.1 occ:1.00 MG M:BCL502 0.0 28.1 1.0 ND M:BCL502 2.0 27.9 1.0 NB M:BCL502 2.1 31.4 1.0 NC M:BCL502 2.1 31.7 1.0 NA M:BCL502 2.2 30.0 1.0 NE2 M:HIS202 2.2 27.3 1.0 C4D M:BCL502 3.0 29.0 1.0 C1B M:BCL502 3.1 30.3 1.0 C4B M:BCL502 3.1 30.4 1.0 C1C M:BCL502 3.1 30.5 1.0 CD2 M:HIS202 3.1 24.2 1.0 C1D M:BCL502 3.1 28.1 1.0 CE1 M:HIS202 3.1 22.5 1.0 C4C M:BCL502 3.1 29.4 1.0 C4A M:BCL502 3.1 30.3 1.0 C1A M:BCL502 3.2 31.4 1.0 CHC M:BCL502 3.4 28.9 1.0 CHB M:BCL502 3.5 30.2 1.0 CHA M:BCL502 3.5 31.3 1.0 CHD M:BCL502 3.5 27.8 1.0 CBB L:BCL502 3.7 31.0 1.0 CAB L:BCL502 4.0 30.9 1.0 OBB L:BCL502 4.2 30.5 1.0 C3D M:BCL502 4.2 28.3 1.0 ND1 M:HIS202 4.3 21.9 1.0 CG M:HIS202 4.3 22.6 1.0 C2B M:BCL502 4.3 29.2 1.0 C3B M:BCL502 4.3 31.4 1.0 C2D M:BCL502 4.3 28.0 1.0 C2C M:BCL502 4.3 28.7 1.0 C3C M:BCL502 4.4 31.4 1.0 C2A M:BCL502 4.4 32.2 1.0 C3A M:BCL502 4.4 31.4 1.0 C3B L:BCL502 4.5 30.1 1.0 CBD M:BCL502 4.9 27.8 1.0 O2D M:BCL502 4.9 28.2 1.0 CMC M:BCL502 5.0 25.2 1.0

P.R.Pokkuluri, P.D.Laible, S.L.Ginell, D.K.Hanson, M.Schiffer. E(L212)A, D(L213)A, A(M249)Y Triple Mutant Structure of Photosynthetic Reaction Center To Be Published.