Bromine in PDB 7mh4: Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Bromotyrosine

The structure of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Bromotyrosine, PDB code: 7mh4 was solved by I.Mathews, J.Weaver, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.00 / 2.48
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.337, 141.337, 186.87, 90, 90, 120
R / Rfree (%)	16.8 / 19.3

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

Chlorine	(Cl)	1 atom
Magnesium	(Mg)	4 atoms
Iron	(Fe)	1 atom

The binding sites of Bromine atom in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Bromotyrosine (pdb code 7mh4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Bromotyrosine, PDB code: 7mh4:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Bromotyrosine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Bromotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ M:Br210 b:41.7 occ:0.50 BR1 M:DBY210 0.0 41.7 0.5 CE1 M:DBY210 1.9 36.0 1.0 CD1 M:DBY210 2.8 35.6 1.0 CZ M:DBY210 2.9 36.4 1.0 OH M:DBY210 3.2 37.1 1.0 CMB M:BCL402 3.3 37.2 1.0 CBA L:BCL304 3.3 39.5 1.0 CAA L:BCL304 3.6 40.9 1.0 C3A L:BCL304 3.7 37.2 1.0 CHB L:BCL304 4.0 35.5 1.0 CE2 L:PHE180 4.0 36.9 1.0 CZ L:PHE180 4.1 36.1 1.0 C4A L:BCL304 4.1 35.0 1.0 CG M:DBY210 4.1 35.0 1.0 CE2 M:DBY210 4.2 35.4 1.0 CD2 M:LEU209 4.2 41.0 1.0 C2A L:BCL304 4.2 39.5 1.0 CD2 L:PHE180 4.2 36.5 1.0 CE1 L:PHE180 4.3 35.3 1.0 CG L:PHE180 4.5 35.8 1.0 CD1 L:PHE180 4.5 35.6 1.0 CD2 M:DBY210 4.7 34.5 1.0 C2B M:BCL402 4.7 36.5 1.0 CGA L:BCL304 4.7 40.0 1.0 CMA L:BCL304 4.9 37.4 1.0 CG M:LEU209 4.9 39.0 1.0

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Bromotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ M:Br210 b:32.6 occ:0.50 BR2 M:DBY210 0.0 32.6 0.5 CE2 M:DBY210 1.9 35.4 1.0 ND L:BCL301 2.7 35.9 1.0 CD2 M:DBY210 2.8 34.5 1.0 CZ M:DBY210 2.9 36.4 1.0 C4D L:BCL301 3.0 36.2 1.0 OH M:DBY210 3.1 37.1 1.0 C1D L:BCL301 3.2 36.8 1.0 MG L:BCL301 3.3 37.6 1.0 C3D L:BCL301 3.6 34.8 1.0 CHA L:BCL301 3.6 38.1 1.0 C2D L:BCL301 3.7 34.7 1.0 NC L:BCL301 3.8 37.5 1.0 CG2 M:ILE206 3.8 36.8 1.0 CHD L:BCL301 3.8 35.7 1.0 NA L:BCL301 3.8 37.1 1.0 C4C L:BCL301 3.9 36.5 1.0 C1A L:BCL301 3.9 37.7 1.0 CBC L:BCL301 4.0 38.4 1.0 CG M:DBY210 4.1 35.0 1.0 CE1 M:DBY210 4.1 36.0 1.0 OBB L:BPH302 4.2 46.6 1.0 CBA L:BCL301 4.2 42.1 1.0 CAD L:BCL301 4.5 36.2 1.0 CBD L:BCL301 4.5 39.1 1.0 NB L:BCL301 4.6 36.9 1.0 CD1 M:DBY210 4.6 35.6 1.0 CBB L:BPH302 4.7 40.7 1.0 C1C L:BCL301 4.8 38.3 1.0 CAC L:BCL301 4.8 38.7 1.0 C4A L:BCL301 4.8 35.5 1.0 CAA L:BCL301 4.8 41.9 1.0 CGA L:BCL301 4.9 42.9 1.0 CMD L:BCL301 4.9 37.8 1.0 O2A L:BCL301 4.9 44.1 1.0 CAB L:BPH302 4.9 42.1 1.0 C3C L:BCL301 5.0 38.1 1.0 C2A L:BCL301 5.0 39.0 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