Magnesium in PDB 8c3f: Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv

The structure of Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv, PDB code: 8c3f was solved by A.G.Gabdulkhakov, G.K.Selikhanov, T.Y.Fufina, L.G.Vasilieva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.12 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.346, 139.346, 184.574, 90, 90, 120
R / Rfree (%)	19.4 / 22

The structure of Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Chlorine	(Cl)	1 atom
Iron	(Fe)	1 atom

The binding sites of Magnesium atom in the Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv (pdb code 8c3f). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv, PDB code: 8c3f:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter 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 Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg305 b:56.5 occ:1.00 MG L:BCL305 0.0 56.5 1.0 ND L:BCL305 2.0 55.9 1.0 NB L:BCL305 2.1 58.8 1.0 NC L:BCL305 2.1 58.9 1.0 NA L:BCL305 2.2 60.8 1.0 NE2 L:HIS173 2.5 50.0 1.0 C4D L:BCL305 3.0 59.5 1.0 C4B L:BCL305 3.1 55.7 1.0 C1B L:BCL305 3.1 56.9 1.0 C1C L:BCL305 3.1 58.7 1.0 C4A L:BCL305 3.1 55.0 1.0 C1D L:BCL305 3.1 56.3 1.0 C4C L:BCL305 3.2 57.3 1.0 CD2 L:HIS173 3.2 53.1 1.0 C1A L:BCL305 3.2 58.0 1.0 CBB M:BCL406 3.3 54.4 1.0 CHC L:BCL305 3.4 55.9 1.0 CHB L:BCL305 3.4 52.6 1.0 CHA L:BCL305 3.5 56.1 1.0 CHD L:BCL305 3.5 57.8 1.0 CE1 L:HIS173 3.6 49.7 1.0 CAB M:BCL406 4.1 58.1 1.0 C3D L:BCL305 4.2 60.3 1.0 C2B L:BCL305 4.3 61.3 1.0 C2D L:BCL305 4.3 57.6 1.0 C3B L:BCL305 4.3 58.2 1.0 C3A L:BCL305 4.4 58.0 1.0 C2C L:BCL305 4.4 56.6 1.0 CG L:HIS173 4.4 54.7 1.0 C3C L:BCL305 4.5 53.8 1.0 C2A L:BCL305 4.5 58.0 1.0 ND1 L:HIS173 4.6 53.2 1.0 C3B M:BCL406 4.6 57.5 1.0 CD2 L:PHE167 4.6 56.3 1.0 CMA L:BCL305 4.8 52.0 1.0 OBB M:BCL406 4.8 54.3 1.0 CBD L:BCL305 5.0 57.1 1.0

Magnesium binding site 2 out of 4 in the Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter 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 Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg313 b:61.2 occ:1.00 MG L:BCL313 0.0 61.2 1.0 ND L:BCL313 2.0 61.5 1.0 NB L:BCL313 2.1 63.0 1.0 NC L:BCL313 2.1 54.3 1.0 NA L:BCL313 2.2 63.6 1.0 NE2 M:HIS182 2.5 59.2 1.0 O L:HOH414 2.5 69.4 1.0 C4D L:BCL313 3.0 60.7 1.0 C4B L:BCL313 3.1 58.2 1.0 C1B L:BCL313 3.1 65.7 1.0 C1C L:BCL313 3.1 58.5 1.0 C4A L:BCL313 3.1 66.5 1.0 C4C L:BCL313 3.1 61.0 1.0 C1D L:BCL313 3.2 59.4 1.0 C1A L:BCL313 3.2 67.7 1.0 CD2 M:HIS182 3.3 60.9 1.0 CHC L:BCL313 3.4 57.7 1.0 CHB L:BCL313 3.4 66.2 1.0 CHA L:BCL313 3.5 65.1 1.0 CHD L:BCL313 3.5 58.1 1.0 CE1 M:HIS182 3.5 60.3 1.0 C3D L:BCL313 4.2 61.4 1.0 C2B L:BCL313 4.3 61.6 1.0 C3B L:BCL313 4.3 60.2 1.0 C2D L:BCL313 4.3 61.2 1.0 C2C L:BCL313 4.4 57.9 1.0 C3A L:BCL313 4.4 72.6 1.0 C3C L:BCL313 4.4 60.9 1.0 C2A L:BCL313 4.5 70.8 1.0 CG M:HIS182 4.5 62.7 1.0 CBB M:BPB407 4.6 66.6 1.0 ND1 M:HIS182 4.6 67.1 1.0 CM5 M:SPN410 4.9 60.6 1.0 NE2 L:HIS177 4.9 72.3 1.0 CBD L:BCL313 5.0 66.0 1.0

Magnesium binding site 3 out of 4 in the Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter 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 Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg403 b:48.8 occ:1.00 MG M:BCL403 0.0 48.8 1.0 ND M:BCL403 2.0 43.9 1.0 NB M:BCL403 2.1 49.5 1.0 NC M:BCL403 2.1 43.8 1.0 NA M:BCL403 2.2 47.3 1.0 NE2 L:HIS153 2.5 50.5 1.0 C4D M:BCL403 3.0 45.9 1.0 C1C M:BCL403 3.1 48.2 1.0 C4B M:BCL403 3.1 49.2 1.0 C1B M:BCL403 3.1 47.5 1.0 C4A M:BCL403 3.1 48.5 1.0 C1D M:BCL403 3.1 45.9 1.0 C4C M:BCL403 3.2 48.4 1.0 C1A M:BCL403 3.2 49.5 1.0 CD2 L:HIS153 3.3 55.4 1.0 CHC M:BCL403 3.4 49.4 1.0 CHB M:BCL403 3.4 44.6 1.0 CHA M:BCL403 3.5 45.8 1.0 CHD M:BCL403 3.5 47.6 1.0 CE1 L:HIS153 3.6 57.3 1.0 CBB L:BPB306 4.2 50.3 1.0 C3D M:BCL403 4.2 47.1 1.0 C2D M:BCL403 4.3 48.3 1.0 C2B M:BCL403 4.3 51.9 1.0 C3B M:BCL403 4.4 49.5 1.0 C2C M:BCL403 4.4 49.9 1.0 C3C M:BCL403 4.4 45.3 1.0 C3A M:BCL403 4.4 48.5 1.0 C2A M:BCL403 4.5 47.8 1.0 CG L:HIS153 4.6 62.1 1.0 CE2 M:TYR210 4.6 50.5 1.0 CD1 L:LEU154 4.6 55.2 1.0 ND1 L:HIS153 4.7 62.4 1.0 CBC M:BCL403 4.8 49.8 1.0 C19 L:BPB306 4.9 51.4 1.0 CBD M:BCL403 4.9 49.0 1.0 CBA M:BCL403 5.0 47.7 1.0

Magnesium binding site 4 out of 4 in the Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Double Mutant I(L177)H/F(M197)H Structure of Photosynthetic Reaction Center From Cereibacter Sphaeroides Strain Rv within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg406 b:56.1 occ:1.00 MG M:BCL406 0.0 56.1 1.0 ND M:BCL406 2.0 59.7 1.0 NB M:BCL406 2.1 58.6 1.0 NC M:BCL406 2.1 57.5 1.0 NA M:BCL406 2.2 60.8 1.0 CE1 M:HIS202 2.4 50.5 1.0 C4D M:BCL406 3.0 59.8 1.0 C4B M:BCL406 3.1 55.5 1.0 C1B M:BCL406 3.1 60.2 1.0 C1C M:BCL406 3.1 56.2 1.0 C4A M:BCL406 3.2 58.4 1.0 C1D M:BCL406 3.2 59.6 1.0 C4C M:BCL406 3.2 57.0 1.0 C1A M:BCL406 3.2 57.0 1.0 NE2 M:HIS202 3.3 51.1 1.0 CHC M:BCL406 3.4 55.5 1.0 ND1 M:HIS202 3.4 55.2 1.0 CHB M:BCL406 3.4 55.3 1.0 CHA M:BCL406 3.4 61.0 1.0 CHD M:BCL406 3.5 55.5 1.0 OBB L:BCL305 3.6 54.4 1.0 CAB L:BCL305 3.8 58.4 1.0 CBB L:BCL305 4.0 58.8 1.0 C3D M:BCL406 4.2 59.5 1.0 C2B M:BCL406 4.3 59.1 1.0 C3B M:BCL406 4.3 57.5 1.0 C2D M:BCL406 4.3 58.8 1.0 C2C M:BCL406 4.4 55.4 1.0 C3C M:BCL406 4.4 55.8 1.0 C3A M:BCL406 4.5 58.8 1.0 C2A M:BCL406 4.5 59.1 1.0 CD2 M:HIS202 4.5 48.0 1.0 CG M:HIS202 4.6 51.0 1.0 C3B L:BCL305 4.7 58.2 1.0 CBD M:BCL406 4.9 59.8 1.0 O2D M:BCL406 4.9 57.1 1.0 CD1 M:ILE206 5.0 56.8 1.0

T.Y.Fufina, G.K.Selikhanov, A.G.Gabdulkhakov, L.G.Vasilieva. Properties and Crystal Structure of the Cereibacter Sphaeroides Photosynthetic Reaction Center with Double Amino Acid Substitution I(L177)H + F(M197)H. Membranes (Basel) V. 13 2023.
ISSN: ESSN 2077-0375
PubMed: 36837660
DOI: 10.3390/MEMBRANES13020157