Magnesium in PDB 7mh3: Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine

The structure of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine, PDB code: 7mh3 was solved by I.Mathews, J.B.Weaver, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.11 / 2.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.674, 141.674, 187.419, 90, 90, 120
R / Rfree (%)	15.7 / 17.4

The structure of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Iron	(Fe)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine (pdb code 7mh3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine, PDB code: 7mh3:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg301 b:32.6 occ:1.00 MG L:BCL301 0.0 32.6 1.0 NA L:BCL301 2.0 32.8 1.0 NC L:BCL301 2.0 31.4 1.0 ND L:BCL301 2.0 30.8 1.0 NB L:BCL301 2.0 31.3 1.0 NE2 L:HIS153 2.4 39.1 1.0 C4D L:BCL301 2.9 31.9 1.0 C1A L:BCL301 3.0 32.4 1.0 C4A L:BCL301 3.0 32.1 1.0 C1C L:BCL301 3.0 31.5 1.0 C4C L:BCL301 3.0 31.3 1.0 C1B L:BCL301 3.0 31.3 1.0 C4B L:BCL301 3.1 31.8 1.0 C1D L:BCL301 3.2 31.8 1.0 CD2 L:HIS153 3.3 39.6 1.0 CL2 M:2LT210 3.4 30.8 0.6 CHB L:BCL301 3.4 30.7 1.0 CHA L:BCL301 3.4 33.1 1.0 CE1 L:HIS153 3.4 40.1 1.0 CHC L:BCL301 3.4 31.6 1.0 CHD L:BCL301 3.6 31.2 1.0 C3D L:BCL301 4.2 31.1 1.0 C3A L:BCL301 4.3 33.9 1.0 C2A L:BCL301 4.3 34.0 1.0 C3C L:BCL301 4.3 33.1 1.0 C2C L:BCL301 4.3 33.0 1.0 C3B L:BCL301 4.4 32.3 1.0 C2B L:BCL301 4.4 31.1 1.0 C2D L:BCL301 4.4 31.8 1.0 CG L:HIS153 4.5 39.7 1.0 ND1 L:HIS153 4.5 39.6 1.0 CBA L:BCL301 4.8 37.1 1.0 CD1 L:LEU154 4.8 41.0 1.0 OBB L:BPH302 4.8 43.0 1.0 CBC L:BCL301 4.8 33.1 1.0 CBD L:BCL301 4.9 35.9 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg304 b:32.4 occ:1.00 MG L:BCL304 0.0 32.4 1.0 NC L:BCL304 2.0 34.4 1.0 ND L:BCL304 2.0 33.6 1.0 NA L:BCL304 2.0 34.3 1.0 NB L:BCL304 2.1 31.9 1.0 NE2 L:HIS173 2.3 31.4 1.0 C4D L:BCL304 2.9 33.5 1.0 C4C L:BCL304 3.0 33.0 1.0 C4A L:BCL304 3.0 31.9 1.0 C1A L:BCL304 3.0 32.9 1.0 C1C L:BCL304 3.0 33.6 1.0 C1B L:BCL304 3.1 31.8 1.0 C4B L:BCL304 3.1 32.4 1.0 C1D L:BCL304 3.1 33.8 1.0 CE1 L:HIS173 3.2 32.2 1.0 CD2 L:HIS173 3.3 32.0 1.0 CHB L:BCL304 3.4 31.0 1.0 CHC L:BCL304 3.4 33.2 1.0 CHA L:BCL304 3.4 32.0 1.0 CHD L:BCL304 3.5 33.5 1.0 OBB M:BCL401 3.6 40.1 1.0 CAB M:BCL401 3.8 36.4 1.0 CBB M:BCL401 4.1 36.3 1.0 C3D L:BCL304 4.2 32.6 1.0 C3A L:BCL304 4.3 32.5 1.0 C3C L:BCL304 4.3 34.1 1.0 C2A L:BCL304 4.4 33.4 1.0 C2C L:BCL304 4.4 33.9 1.0 ND1 L:HIS173 4.4 31.1 1.0 C3B L:BCL304 4.4 32.4 1.0 C2D L:BCL304 4.4 35.5 1.0 C2B L:BCL304 4.4 32.4 1.0 CG L:HIS173 4.4 32.3 1.0 C3B M:BCL401 4.6 32.8 1.0 CD2 L:PHE167 4.7 38.7 1.0 CBD L:BCL304 4.9 32.4 1.0 CMA L:BCL304 5.0 32.5 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg305 b:33.8 occ:1.00 MG L:BCL305 0.0 33.8 1.0 NA L:BCL305 2.0 34.7 1.0 ND L:BCL305 2.0 32.9 1.0 NC L:BCL305 2.0 33.8 1.0 NB L:BCL305 2.0 33.4 1.0 NE2 M:HIS182 2.3 37.6 1.0 C4D L:BCL305 2.9 33.1 1.0 C4A L:BCL305 3.0 34.8 1.0 C1A L:BCL305 3.0 35.2 1.0 C4C L:BCL305 3.0 32.6 1.0 C1B L:BCL305 3.0 34.1 1.0 C1C L:BCL305 3.0 33.0 1.0 C4B L:BCL305 3.1 34.0 1.0 C1D L:BCL305 3.1 32.7 1.0 CD2 M:HIS182 3.2 39.2 1.0 CE1 M:HIS182 3.4 38.9 1.0 CHB L:BCL305 3.4 34.6 1.0 CHA L:BCL305 3.4 34.3 1.0 CHC L:BCL305 3.4 33.5 1.0 CHD L:BCL305 3.5 32.4 1.0 C3D L:BCL305 4.2 33.5 1.0 C3A L:BCL305 4.3 36.6 1.0 C2A L:BCL305 4.3 37.5 1.0 C3C L:BCL305 4.3 34.3 1.0 C2B L:BCL305 4.4 34.2 1.0 C2C L:BCL305 4.4 33.4 1.0 C3B L:BCL305 4.4 34.9 1.0 C2D L:BCL305 4.4 34.2 1.0 CG M:HIS182 4.4 38.7 1.0 ND1 M:HIS182 4.4 38.2 1.0 CE2 L:PHE181 4.7 34.7 1.0 CBA L:BCL305 4.8 45.7 1.0 CBD L:BCL305 4.9 36.6 1.0 OBB M:BPH407 4.9 48.7 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Chlorotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg401 b:32.1 occ:1.00 MG M:BCL401 0.0 32.1 1.0 ND M:BCL401 2.0 32.5 1.0 NB M:BCL401 2.0 31.2 1.0 NC M:BCL401 2.0 34.0 1.0 NA M:BCL401 2.0 34.7 1.0 NE2 M:HIS202 2.3 35.1 1.0 C4D M:BCL401 2.9 33.0 1.0 C4A M:BCL401 3.0 32.6 1.0 C1A M:BCL401 3.0 33.3 1.0 C1C M:BCL401 3.0 33.6 1.0 C1B M:BCL401 3.0 31.6 1.0 C4C M:BCL401 3.0 33.1 1.0 C4B M:BCL401 3.1 32.4 1.0 C1D M:BCL401 3.1 34.0 1.0 CD2 M:HIS202 3.3 35.0 1.0 CE1 M:HIS202 3.3 35.2 1.0 CHB M:BCL401 3.4 32.1 1.0 CHC M:BCL401 3.4 33.3 1.0 CHA M:BCL401 3.4 32.6 1.0 CBB L:BCL304 3.4 36.5 1.0 CHD M:BCL401 3.5 33.3 1.0 CAB L:BCL304 3.7 34.5 1.0 OBB L:BCL304 4.0 36.4 1.0 C3D M:BCL401 4.2 33.3 1.0 C3A M:BCL401 4.3 34.7 1.0 C2B M:BCL401 4.3 31.4 1.0 C2C M:BCL401 4.4 34.5 1.0 C3B M:BCL401 4.4 32.8 1.0 C2A M:BCL401 4.4 34.4 1.0 C3C M:BCL401 4.4 35.5 1.0 C2D M:BCL401 4.4 33.4 1.0 ND1 M:HIS202 4.4 34.2 1.0 CG M:HIS202 4.5 33.9 1.0 C3B L:BCL304 4.5 32.4 1.0 CBD M:BCL401 4.9 33.2 1.0

J.B.Weaver, C.Y.Lin, K.M.Faries, I.I.Mathews, S.Russi, D.Holten, C.Kirmaier, S.G.Boxer. Photosynthetic Reaction Center Variants Made Via Genetic Code Expansion Show Tyr at M210 Tunes the Initial Electron Transfer Mechanism. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34907018
DOI: 10.1073/PNAS.2116439118