Magnesium in PDB 3zuw: Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His

The structure of Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His, PDB code: 3zuw was solved by K.Gibasiewicz, M.Pajzderska, J.A.Potter, P.K.Fyfe, A.Dobek, K.Brettel, M.R.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.87 / 2.31
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.865, 139.865, 184.738, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 22.4

The structure of Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His (pdb code 3zuw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His, PDB code: 3zuw:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg1282 b:30.3 occ:1.00 MG L:BCL1282 0.0 30.3 1.0 ND L:BCL1282 2.0 28.3 1.0 NB L:BCL1282 2.0 28.0 1.0 NC L:BCL1282 2.0 32.0 1.0 NA L:BCL1282 2.1 31.1 1.0 NE2 L:HIS173 2.2 23.7 1.0 C4D L:BCL1282 3.0 31.4 1.0 C1C L:BCL1282 3.0 30.3 1.0 C4C L:BCL1282 3.0 31.2 1.0 C4A L:BCL1282 3.0 30.0 1.0 C4B L:BCL1282 3.1 31.9 1.0 C1B L:BCL1282 3.1 28.3 1.0 C1D L:BCL1282 3.1 30.6 1.0 C1A L:BCL1282 3.1 29.8 1.0 CE1 L:HIS173 3.1 22.3 1.0 CD2 L:HIS173 3.2 18.6 1.0 CHC L:BCL1282 3.4 32.7 1.0 CHB L:BCL1282 3.4 30.6 1.0 CHD L:BCL1282 3.5 26.1 1.0 CHA L:BCL1282 3.5 28.8 1.0 OBB M:BCL1304 3.8 33.9 1.0 CAB M:BCL1304 3.8 35.7 1.0 CBB M:BCL1304 3.8 27.6 1.0 C3D L:BCL1282 4.2 23.7 1.0 C2D L:BCL1282 4.2 32.9 1.0 C2B L:BCL1282 4.3 26.6 1.0 C3B L:BCL1282 4.3 28.6 1.0 ND1 L:HIS173 4.3 18.2 1.0 C2C L:BCL1282 4.3 28.8 1.0 C3C L:BCL1282 4.4 26.5 1.0 C3A L:BCL1282 4.4 30.3 1.0 CG L:HIS173 4.4 24.5 1.0 C2A L:BCL1282 4.5 30.3 1.0 C3B M:BCL1304 4.5 26.3 1.0 CD2 L:PHE167 4.6 31.9 1.0 CMA L:BCL1282 4.9 27.1 1.0 CBD L:BCL1282 5.0 27.0 1.0

Magnesium binding site 2 out of 4 in the Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg1283 b:25.2 occ:1.00 MG L:BCL1283 0.0 25.2 1.0 ND L:BCL1283 1.9 14.0 1.0 NB L:BCL1283 1.9 17.6 1.0 NA L:BCL1283 2.0 19.3 1.0 NC L:BCL1283 2.0 19.8 1.0 NE2 L:HIS153 2.3 32.9 1.0 C4D L:BCL1283 2.9 14.6 1.0 C4A L:BCL1283 3.0 19.1 1.0 C1C L:BCL1283 3.0 22.0 1.0 C1A L:BCL1283 3.0 17.2 1.0 C4B L:BCL1283 3.0 20.0 1.0 C1B L:BCL1283 3.0 20.0 1.0 C4C L:BCL1283 3.0 21.1 1.0 C1D L:BCL1283 3.1 16.8 1.0 CD2 L:HIS153 3.1 33.1 1.0 CHC L:BCL1283 3.4 22.5 1.0 CHB L:BCL1283 3.4 17.4 1.0 CHA L:BCL1283 3.4 21.4 1.0 CE1 L:HIS153 3.4 38.6 1.0 CHD L:BCL1283 3.5 21.1 1.0 C3D L:BCL1283 4.2 13.9 1.0 C2D L:BCL1283 4.2 21.1 1.0 C2B L:BCL1283 4.2 24.0 1.0 C3B L:BCL1283 4.2 22.4 1.0 C3A L:BCL1283 4.3 21.1 1.0 C2C L:BCL1283 4.3 20.4 1.0 C3C L:BCL1283 4.3 21.9 1.0 C2A L:BCL1283 4.3 21.3 1.0 CG L:HIS153 4.4 33.9 1.0 ND1 L:HIS153 4.5 33.3 1.0 OBB L:BPH1285 4.5 48.5 1.0 CE2 M:TYR210 4.6 34.2 1.0 CD2 L:LEU154 4.7 30.4 1.0 CBC L:BCL1283 4.8 21.2 1.0 C20 L:BPH1285 4.8 30.5 1.0 CBA L:BCL1283 4.8 28.2 1.0 CBD L:BCL1283 4.9 26.3 1.0

Magnesium binding site 3 out of 4 in the Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg1303 b:27.7 occ:1.00 MG M:BCL1303 0.0 27.7 1.0 ND M:BCL1303 1.9 24.9 1.0 NB M:BCL1303 1.9 27.6 1.0 NC M:BCL1303 2.0 28.1 1.0 NA M:BCL1303 2.0 29.0 1.0 NE2 M:HIS182 2.2 25.1 1.0 C4D M:BCL1303 3.0 22.4 1.0 C4C M:BCL1303 3.0 27.4 1.0 C4A M:BCL1303 3.0 27.1 1.0 C1B M:BCL1303 3.0 26.4 1.0 CD2 M:HIS182 3.0 26.7 1.0 C1C M:BCL1303 3.0 25.1 1.0 C4B M:BCL1303 3.0 29.2 1.0 C1D M:BCL1303 3.1 25.8 1.0 C1A M:BCL1303 3.1 31.4 1.0 CE1 M:HIS182 3.3 25.6 1.0 CHB M:BCL1303 3.4 25.3 1.0 CHC M:BCL1303 3.4 24.9 1.0 CHD M:BCL1303 3.4 23.7 1.0 CHA M:BCL1303 3.5 27.2 1.0 C2B M:BCL1303 4.2 29.8 1.0 C3B M:BCL1303 4.2 29.5 1.0 C2D M:BCL1303 4.2 24.9 1.0 C3D M:BCL1303 4.2 18.2 1.0 CG M:HIS182 4.3 26.5 1.0 C3C M:BCL1303 4.3 24.2 1.0 C3A M:BCL1303 4.3 29.8 1.0 C2C M:BCL1303 4.3 24.7 1.0 ND1 M:HIS182 4.4 29.8 1.0 C2A M:BCL1303 4.4 30.6 1.0 OBB M:BPH1311 4.8 41.4 1.0 CBD M:BCL1303 4.9 29.7 1.0 CM5 M:SPN1312 4.9 26.7 1.0 CE2 L:PHE181 5.0 28.2 1.0

Magnesium binding site 4 out of 4 in the Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Photosynthetic Reaction Centre Mutant with Tyr L128 Replaced with His within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg1304 b:26.2 occ:1.00 MG M:BCL1304 0.0 26.2 1.0 ND M:BCL1304 2.0 23.6 1.0 NB M:BCL1304 2.0 23.6 1.0 NC M:BCL1304 2.1 27.3 1.0 NA M:BCL1304 2.1 27.8 1.0 NE2 M:HIS202 2.2 27.1 1.0 C4D M:BCL1304 3.0 27.6 1.0 C1C M:BCL1304 3.0 26.7 1.0 C4A M:BCL1304 3.1 27.3 1.0 C4B M:BCL1304 3.1 28.3 1.0 C1B M:BCL1304 3.1 28.8 1.0 C4C M:BCL1304 3.1 29.1 1.0 C1A M:BCL1304 3.1 24.4 1.0 C1D M:BCL1304 3.1 27.5 1.0 CE1 M:HIS202 3.2 27.3 1.0 CD2 M:HIS202 3.2 25.3 1.0 CHC M:BCL1304 3.4 23.3 1.0 CHB M:BCL1304 3.4 27.8 1.0 CHA M:BCL1304 3.5 25.9 1.0 CHD M:BCL1304 3.5 28.1 1.0 CBB L:BCL1282 3.6 33.5 1.0 CAB L:BCL1282 3.8 32.3 1.0 OBB L:BCL1282 3.9 33.0 1.0 C3D M:BCL1304 4.2 23.3 1.0 C3B M:BCL1304 4.2 26.3 1.0 C2B M:BCL1304 4.2 27.5 1.0 C2D M:BCL1304 4.2 26.4 1.0 C2C M:BCL1304 4.3 31.1 1.0 ND1 M:HIS202 4.3 24.6 1.0 CG M:HIS202 4.4 21.4 1.0 C3C M:BCL1304 4.4 30.2 1.0 C3A M:BCL1304 4.4 31.1 1.0 C2A M:BCL1304 4.5 30.3 1.0 C3B L:BCL1282 4.5 28.6 1.0 CBD M:BCL1304 4.9 26.9 1.0 CD1 M:ILE206 4.9 30.8 1.0 CMC M:BCL1304 5.0 26.7 1.0

K.Gibasiewicz, M.Pajzderska, J.A.Potter, P.K.Fyfe, A.Dobek, K.Brettel, M.R.Jones. Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps Between P(+)B(A)(-) and P(+)H(A)(-). J Phys Chem B V. 115 13037 2011.
ISSN: ISSN 1520-6106
PubMed: 21970763
DOI: 10.1021/JP206462G