Iodine in PDB 7mh5: Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Iodotyrosine

The structure of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Iodotyrosine, PDB code: 7mh5 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)	38.95 / 2.85
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.414, 141.414, 186.502, 90, 90, 120
R / Rfree (%)	18 / 20.5

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

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

The binding sites of Iodine atom in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Iodotyrosine (pdb code 7mh5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Iodotyrosine, PDB code: 7mh5:
Jump to Iodine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Iodotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ M:I210 b:60.3 occ:0.80 I1 M:TYI210 0.0 60.3 0.8 CE1 M:TYI210 2.1 59.0 1.0 CD1 M:TYI210 3.0 58.5 1.0 CZ M:TYI210 3.1 60.5 1.0 OH M:TYI210 3.4 56.5 1.0 CMB M:BCL403 3.5 56.2 1.0 CBA L:BCL303 3.6 58.7 1.0 C3A L:BCL303 3.9 56.8 1.0 CAA L:BCL303 3.9 60.9 1.0 CE2 L:PHE180 3.9 61.2 1.0 CD2 M:LEU209 3.9 64.0 1.0 CZ L:PHE180 4.0 58.7 1.0 CD2 L:PHE180 4.0 61.4 1.0 CE1 L:PHE180 4.0 57.5 1.0 CG L:PHE180 4.1 60.5 1.0 CHB L:BCL303 4.1 50.3 1.0 CD1 L:PHE180 4.1 58.6 1.0 C4A L:BCL303 4.3 54.4 1.0 CG M:TYI210 4.3 59.3 1.0 CE2 M:TYI210 4.4 60.9 1.0 C2A L:BCL303 4.5 58.7 1.0 CG M:LEU209 4.7 62.3 1.0 CD2 M:TYI210 4.9 60.6 1.0 CMA L:BCL303 4.9 57.9 1.0 C2B M:BCL403 4.9 56.4 1.0 CGA L:BCL303 5.0 58.9 1.0 CB L:PHE180 5.0 60.2 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of R. Sphaeroides Photosynthetic Reaction Center Variant; Y(M210)3-Iodotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ M:I210 b:62.6 occ:0.20 I2 M:TYI210 0.0 62.6 0.2 CE2 M:TYI210 2.0 60.9 1.0 ND M:BCL401 2.3 55.9 1.0 C4D M:BCL401 2.8 55.9 1.0 CD2 M:TYI210 2.9 60.6 1.0 MG M:BCL401 2.9 53.4 1.0 C1D M:BCL401 2.9 56.1 1.0 CZ M:TYI210 3.0 60.5 1.0 OH M:TYI210 3.2 56.5 1.0 CHA M:BCL401 3.4 58.0 1.0 NC M:BCL401 3.4 53.6 1.0 C3D M:BCL401 3.5 55.7 1.0 NA M:BCL401 3.5 54.4 1.0 CHD M:BCL401 3.6 54.8 1.0 C4C M:BCL401 3.6 54.9 1.0 C2D M:BCL401 3.7 55.5 1.0 C1A M:BCL401 3.7 56.8 1.0 CG2 M:ILE206 4.0 55.0 1.0 CBC M:BCL401 4.0 59.9 1.0 CG M:TYI210 4.2 59.3 1.0 CBA M:BCL401 4.2 63.0 1.0 OBB L:BPH301 4.2 62.5 1.0 NB M:BCL401 4.3 54.4 1.0 CE1 M:TYI210 4.3 59.0 1.0 CAD M:BCL401 4.4 56.8 1.0 CBD M:BCL401 4.4 59.3 1.0 C1C M:BCL401 4.5 57.4 1.0 C4A M:BCL401 4.6 52.8 1.0 CBB L:BPH301 4.7 58.3 1.0 CAC M:BCL401 4.7 60.0 1.0 CD1 M:TYI210 4.8 58.5 1.0 CAA M:BCL401 4.8 61.4 1.0 C3C M:BCL401 4.8 58.0 1.0 C2A M:BCL401 4.8 57.2 1.0 CMD M:BCL401 4.9 57.0 1.0 CAB L:BPH301 4.9 58.7 1.0 CGA M:BCL401 4.9 60.1 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