Magnesium in PDB 4lwy: L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv

The structure of L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv, PDB code: 4lwy was solved by A.G.Gabdulkhakov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.19 / 2.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.040, 140.040, 184.620, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 26.2

The structure of L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv also contains other interesting chemical elements:

Potassium	(K)	1 atom
Iron	(Fe)	1 atom

The binding sites of Magnesium atom in the L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv (pdb code 4lwy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv, PDB code: 4lwy:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg301 b:21.2 occ:1.00 MG L:BCL301 0.0 21.2 1.0 ND L:BCL301 1.9 30.9 1.0 NB L:BCL301 1.9 34.4 1.0 NC L:BCL301 2.0 32.5 1.0 NA L:BCL301 2.0 32.3 1.0 NE2 M:HIS182 2.7 41.5 1.0 C4A L:BCL301 2.9 29.4 1.0 C4D L:BCL301 2.9 28.2 1.0 C4C L:BCL301 3.0 35.3 1.0 C1B L:BCL301 3.0 32.7 1.0 C1C L:BCL301 3.0 32.8 1.0 C1D L:BCL301 3.0 30.4 1.0 C4B L:BCL301 3.0 33.9 1.0 C1A L:BCL301 3.0 31.5 1.0 CHB L:BCL301 3.3 30.7 1.0 CHC L:BCL301 3.4 34.2 1.0 CD2 M:HIS182 3.4 42.8 1.0 CHD L:BCL301 3.4 30.1 1.0 CHA L:BCL301 3.4 27.9 1.0 CE1 M:HIS182 3.7 47.8 1.0 C3D L:BCL301 4.2 24.8 1.0 C2D L:BCL301 4.2 29.9 1.0 C2B L:BCL301 4.2 30.7 1.0 C3B L:BCL301 4.2 33.2 1.0 C3C L:BCL301 4.3 28.9 1.0 C2C L:BCL301 4.3 24.9 1.0 C3A L:BCL301 4.3 27.1 1.0 C2A L:BCL301 4.4 31.0 1.0 CG M:HIS182 4.6 49.1 1.0 CM5 M:SPN407 4.7 31.0 1.0 ND1 M:HIS182 4.7 52.2 1.0 CBD L:BCL301 4.9 31.2 1.0 CBA L:BCL301 5.0 39.5 1.0

Magnesium binding site 2 out of 3 in the L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:42.3 occ:1.00 MG L:BCL302 0.0 42.3 1.0 ND L:BCL302 1.9 36.7 1.0 NB L:BCL302 2.0 33.2 1.0 NA L:BCL302 2.0 34.4 1.0 NC L:BCL302 2.0 38.8 1.0 NE2 L:HIS173 2.6 21.5 1.0 C4A L:BCL302 2.9 33.0 1.0 C4D L:BCL302 3.0 40.5 1.0 C4C L:BCL302 3.0 30.9 1.0 C1C L:BCL302 3.0 36.1 1.0 C1B L:BCL302 3.0 31.4 1.0 C1A L:BCL302 3.0 37.1 1.0 C1D L:BCL302 3.0 34.0 1.0 C4B L:BCL302 3.0 31.6 1.0 CD2 L:HIS173 3.2 25.9 1.0 CHB L:BCL302 3.3 31.3 1.0 CHC L:BCL302 3.3 33.0 1.0 CHD L:BCL302 3.4 33.0 1.0 CHA L:BCL302 3.5 39.9 1.0 CBB M:BPH402 3.7 36.8 1.0 CE1 L:HIS173 3.8 25.1 1.0 CAB M:BPH402 3.9 38.0 1.0 OBB M:BPH402 4.0 35.3 1.0 C3A L:BCL302 4.2 35.9 1.0 C2B L:BCL302 4.2 28.0 1.0 C3D L:BCL302 4.2 38.7 1.0 C2D L:BCL302 4.2 39.2 1.0 C3B L:BCL302 4.2 28.8 1.0 C2A L:BCL302 4.3 38.1 1.0 C3C L:BCL302 4.3 30.0 1.0 C2C L:BCL302 4.3 28.5 1.0 CG L:HIS173 4.5 25.7 1.0 CD2 L:PHE167 4.6 41.4 1.0 C3B M:BPH402 4.6 33.9 1.0 CMA L:BCL302 4.6 33.6 1.0 ND1 L:HIS173 4.7 28.2 1.0 CBD L:BCL302 4.9 38.5 1.0

Magnesium binding site 3 out of 3 in the L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides Strain Rv within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg403 b:22.6 occ:1.00 MG M:BCL403 0.0 22.6 1.0 ND M:BCL403 1.9 23.0 1.0 NB M:BCL403 2.0 23.5 1.0 NA M:BCL403 2.0 20.3 1.0 NC M:BCL403 2.0 21.0 1.0 NE2 L:HIS153 2.8 49.7 1.0 C4A M:BCL403 2.9 23.1 1.0 C4D M:BCL403 3.0 27.6 1.0 C4C M:BCL403 3.0 22.4 1.0 C1C M:BCL403 3.0 23.4 1.0 C1B M:BCL403 3.0 21.3 1.0 C1A M:BCL403 3.0 21.2 1.0 C1D M:BCL403 3.1 22.3 1.0 C4B M:BCL403 3.1 22.7 1.0 CHB M:BCL403 3.3 20.8 1.0 CHC M:BCL403 3.4 21.8 1.0 CHD M:BCL403 3.4 22.0 1.0 CE1 L:HIS153 3.4 50.7 1.0 CHA M:BCL403 3.5 26.1 1.0 CD2 L:HIS153 3.7 52.6 1.0 C3A M:BCL403 4.2 23.4 1.0 C3D M:BCL403 4.2 25.1 1.0 C2D M:BCL403 4.2 24.6 1.0 C2B M:BCL403 4.2 19.1 1.0 C3B M:BCL403 4.3 20.0 1.0 C2C M:BCL403 4.3 23.2 1.0 C3C M:BCL403 4.3 23.9 1.0 C2A M:BCL403 4.3 23.5 1.0 ND1 L:HIS153 4.4 60.2 1.0 CG L:HIS153 4.6 58.1 1.0 CMA M:BCL403 4.7 22.1 1.0 OBB L:BPH303 4.7 37.7 1.0 CE2 M:TYR210 4.9 47.8 1.0 CD1 L:LEU154 4.9 31.8 1.0 CBD M:BCL403 4.9 22.5 1.0 CBC M:BCL403 4.9 31.5 1.0

V.G.Kljashtorny, T.Y.Fufina, L.G.Vasilieva, A.G.Gabdulkhakov. Molecular Dynamic Studies of Reaction Centers Mutants From Rhodobacter Sphaeroides and His Mutant Form L(M196)H+H(M202)L Crystallogr Rep. V. 59 536 2014.