Magnesium in PDB 3dta: E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides

The structure of E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides, PDB code: 3dta 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)	30.00 / 3.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.500, 141.500, 187.000, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 20.3

The structure of E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides (pdb code 3dta). 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)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides, PDB code: 3dta:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg502 b:25.0 occ:1.00 MG L:BCL502 0.0 25.0 1.0 ND L:BCL502 2.0 25.8 1.0 NB L:BCL502 2.1 22.9 1.0 NC L:BCL502 2.1 24.5 1.0 NA L:BCL502 2.2 24.6 1.0 NE2 L:HIS173 2.3 24.9 1.0 C4D L:BCL502 3.0 26.7 1.0 C1B L:BCL502 3.1 22.6 1.0 C4B L:BCL502 3.1 22.9 1.0 C1D L:BCL502 3.1 25.5 1.0 C4A L:BCL502 3.1 23.8 1.0 C1C L:BCL502 3.1 25.1 1.0 C4C L:BCL502 3.2 24.5 1.0 CD2 L:HIS173 3.2 24.1 1.0 C1A L:BCL502 3.2 26.0 1.0 CE1 L:HIS173 3.3 25.9 1.0 CHB L:BCL502 3.5 22.4 1.0 CHC L:BCL502 3.5 23.7 1.0 CHD L:BCL502 3.5 24.2 1.0 CHA L:BCL502 3.5 27.1 1.0 OBB M:BCL502 3.6 35.4 1.0 CAB M:BCL502 3.8 31.8 1.0 CBB M:BCL502 4.0 32.6 1.0 C3D L:BCL502 4.2 27.4 1.0 C2B L:BCL502 4.3 23.1 1.0 C2D L:BCL502 4.3 26.2 1.0 C3B L:BCL502 4.3 23.3 1.0 CG L:HIS173 4.3 26.3 1.0 ND1 L:HIS173 4.4 25.1 1.0 C3A L:BCL502 4.4 26.4 1.0 C2C L:BCL502 4.4 25.0 1.0 C3C L:BCL502 4.5 25.4 1.0 C2A L:BCL502 4.5 27.1 1.0 C3B M:BCL502 4.5 28.9 1.0 CD2 L:PHE167 4.7 34.6 1.0 CMA L:BCL502 4.9 26.4 1.0 CBD L:BCL502 5.0 27.3 1.0

Magnesium binding site 2 out of 4 in the E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg501 b:22.5 occ:1.00 MG L:BCL501 0.0 22.5 1.0 ND L:BCL501 2.0 22.6 1.0 NB L:BCL501 2.1 22.6 1.0 NC L:BCL501 2.1 23.4 1.0 NA L:BCL501 2.2 22.6 1.0 NE2 L:HIS153 2.3 47.5 1.0 C4D L:BCL501 3.0 22.0 1.0 C1D L:BCL501 3.0 21.9 1.0 C1B L:BCL501 3.1 22.3 1.0 C4B L:BCL501 3.1 23.7 1.0 C1C L:BCL501 3.1 24.1 1.0 C4C L:BCL501 3.1 22.4 1.0 C4A L:BCL501 3.1 23.7 1.0 C1A L:BCL501 3.2 23.8 1.0 CD2 L:HIS153 3.3 47.1 1.0 CE1 L:HIS153 3.3 47.4 1.0 CHC L:BCL501 3.4 23.7 1.0 CHB L:BCL501 3.4 22.5 1.0 CHD L:BCL501 3.4 20.6 1.0 CHA L:BCL501 3.5 23.1 1.0 C3D L:BCL501 4.2 22.0 1.0 C2D L:BCL501 4.3 21.7 1.0 C2B L:BCL501 4.3 23.1 1.0 CBB L:BPH503 4.3 41.4 1.0 C3B L:BCL501 4.3 24.6 1.0 C3C L:BCL501 4.3 24.7 1.0 C2C L:BCL501 4.4 23.9 1.0 CG L:HIS153 4.4 47.6 1.0 C3A L:BCL501 4.4 24.0 1.0 ND1 L:HIS153 4.4 47.7 1.0 C2A L:BCL501 4.5 24.7 1.0 CE2 M:TYR210 4.6 36.8 1.0 CBA L:BCL501 4.9 30.8 1.0 CD2 L:LEU154 4.9 48.9 1.0 CAC L:BCL501 4.9 27.9 1.0 CBD L:BCL501 5.0 23.4 1.0

Magnesium binding site 3 out of 4 in the E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg501 b:37.1 occ:1.00 MG M:BCL501 0.0 37.1 1.0 ND M:BCL501 2.0 36.2 1.0 NB M:BCL501 2.1 37.6 1.0 NC M:BCL501 2.1 34.7 1.0 NA M:BCL501 2.2 37.6 1.0 NE2 M:HIS182 2.2 51.8 1.0 C4D M:BCL501 3.0 36.8 1.0 C1B M:BCL501 3.1 38.5 1.0 CD2 M:HIS182 3.1 51.3 1.0 C1D M:BCL501 3.1 35.9 1.0 C4B M:BCL501 3.1 37.7 1.0 C4C M:BCL501 3.1 33.8 1.0 C1C M:BCL501 3.1 35.1 1.0 C4A M:BCL501 3.2 38.7 1.0 C1A M:BCL501 3.2 39.4 1.0 CE1 M:HIS182 3.2 52.0 1.0 CHB M:BCL501 3.5 37.8 1.0 CHA M:BCL501 3.5 38.7 1.0 CHD M:BCL501 3.5 35.2 1.0 CHC M:BCL501 3.5 36.6 1.0 C3D M:BCL501 4.2 37.3 1.0 CG M:HIS182 4.3 50.2 1.0 C2B M:BCL501 4.3 38.6 1.0 C2D M:BCL501 4.3 36.2 1.0 ND1 M:HIS182 4.3 52.2 1.0 C3B M:BCL501 4.3 39.3 1.0 C3C M:BCL501 4.4 33.9 1.0 C2C M:BCL501 4.4 34.2 1.0 C3A M:BCL501 4.5 40.8 1.0 C2A M:BCL501 4.5 42.2 1.0 CBB M:BPH503 4.8 52.9 1.0 CE2 L:PHE181 4.8 40.1 1.0 CBD M:BCL501 5.0 40.6 1.0 CBA M:BCL501 5.0 53.3 1.0

Magnesium binding site 4 out of 4 in the E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of E(L212)Q, N(M44)D Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg502 b:29.5 occ:1.00 MG M:BCL502 0.0 29.5 1.0 ND M:BCL502 2.0 29.3 1.0 NB M:BCL502 2.1 28.1 1.0 NC M:BCL502 2.1 29.9 1.0 NA M:BCL502 2.2 29.4 1.0 NE2 M:HIS202 2.2 31.5 1.0 C4D M:BCL502 3.0 29.5 1.0 C1B M:BCL502 3.1 27.2 1.0 C4B M:BCL502 3.1 27.7 1.0 C1C M:BCL502 3.1 30.1 1.0 C1D M:BCL502 3.1 28.6 1.0 CE1 M:HIS202 3.1 32.8 1.0 C4C M:BCL502 3.1 29.9 1.0 CD2 M:HIS202 3.1 31.8 1.0 C4A M:BCL502 3.1 29.7 1.0 C1A M:BCL502 3.2 29.7 1.0 CHC M:BCL502 3.4 28.0 1.0 CHB M:BCL502 3.5 28.1 1.0 CHA M:BCL502 3.5 30.0 1.0 CHD M:BCL502 3.5 28.5 1.0 CBB L:BCL502 3.7 22.4 1.0 CAB L:BCL502 4.0 25.0 1.0 OBB L:BCL502 4.2 26.1 1.0 C3D M:BCL502 4.2 30.1 1.0 ND1 M:HIS202 4.3 33.2 1.0 CG M:HIS202 4.3 33.0 1.0 C2B M:BCL502 4.3 27.8 1.0 C3B M:BCL502 4.3 28.9 1.0 C2D M:BCL502 4.3 28.9 1.0 C2C M:BCL502 4.3 31.1 1.0 C3C M:BCL502 4.4 30.8 1.0 C2A M:BCL502 4.4 29.2 1.0 C3A M:BCL502 4.4 30.0 1.0 C3B L:BCL502 4.5 23.3 1.0 CBD M:BCL502 4.9 31.7 1.0 O2D M:BCL502 4.9 36.4 1.0 CMC M:BCL502 5.0 31.6 1.0

P.R.Pokkuluri, P.D.Laible, D.K.Hanson, M.Schiffer. Restoring Proton Transfer in L212Q Mutant of Photosynthetic Reaction Center To Be Published.