Magnesium in PDB 2uws: X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State

The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State, PDB code: 2uws was solved by J.Koepke, R.Diehm, G.Fritzsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	119.52 / 2.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.310, 139.310, 184.140, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 24.8

The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State (pdb code 2uws). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State, PDB code: 2uws:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg1282 b:35.6 occ:1.00 MG L:BCL1282 0.0 35.6 1.0 ND L:BCL1282 2.0 30.9 1.0 NB L:BCL1282 2.0 35.0 1.0 NE2 L:HIS153 2.0 41.3 1.0 NA L:BCL1282 2.0 33.9 1.0 NC L:BCL1282 2.1 33.7 1.0 C4D L:BCL1282 2.9 31.1 1.0 C1C L:BCL1282 3.0 35.3 1.0 CE1 L:HIS153 3.0 41.3 1.0 C4C L:BCL1282 3.0 33.9 1.0 C4B L:BCL1282 3.0 37.0 1.0 C4A L:BCL1282 3.0 33.8 1.0 C1D L:BCL1282 3.1 32.6 1.0 C1A L:BCL1282 3.1 33.5 1.0 CD2 L:HIS153 3.1 44.3 1.0 C1B L:BCL1282 3.1 35.6 1.0 CHC L:BCL1282 3.3 37.0 1.0 CHA L:BCL1282 3.4 32.4 1.0 CHB L:BCL1282 3.4 32.8 1.0 CHD L:BCL1282 3.4 33.3 1.0 C3D L:BCL1282 4.1 31.5 1.0 ND1 L:HIS153 4.1 42.2 1.0 C2D L:BCL1282 4.2 32.5 1.0 CG L:HIS153 4.2 45.8 1.0 C3B L:BCL1282 4.2 36.6 1.0 C2B L:BCL1282 4.2 35.2 1.0 C2C L:BCL1282 4.3 35.5 1.0 C3C L:BCL1282 4.3 34.8 1.0 C3A L:BCL1282 4.3 31.6 1.0 C2A L:BCL1282 4.4 32.8 1.0 OBB L:BPH1284 4.5 50.0 1.0 CE2 M:TYR210 4.6 42.5 1.0 CBC L:BCL1282 4.9 35.8 1.0 CBD L:BCL1282 4.9 33.2 1.0 C20 L:BPH1284 4.9 35.8 1.0 CD1 L:LEU154 5.0 43.8 1.0 CBA L:BCL1282 5.0 37.3 1.0

Magnesium binding site 2 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg1286 b:38.3 occ:1.00 MG L:BCL1286 0.0 38.3 1.0 ND L:BCL1286 2.0 39.5 1.0 NB L:BCL1286 2.1 36.5 1.0 NA L:BCL1286 2.1 38.3 1.0 NC L:BCL1286 2.1 37.7 1.0 NE2 L:HIS173 2.2 27.1 1.0 C4D L:BCL1286 2.9 40.7 1.0 C1C L:BCL1286 3.0 37.0 1.0 C4B L:BCL1286 3.0 38.3 1.0 C4A L:BCL1286 3.0 35.5 1.0 C4C L:BCL1286 3.0 34.7 1.0 C1D L:BCL1286 3.1 40.0 1.0 C1B L:BCL1286 3.1 35.3 1.0 C1A L:BCL1286 3.1 38.4 1.0 CE1 L:HIS173 3.1 26.3 1.0 OBB M:BCL1304 3.2 40.5 1.0 CD2 L:HIS173 3.3 31.2 1.0 CHC L:BCL1286 3.3 38.4 1.0 CHD L:BCL1286 3.4 37.2 1.0 CHA L:BCL1286 3.4 38.6 1.0 CHB L:BCL1286 3.4 32.0 1.0 CAB M:BCL1304 3.6 36.6 1.0 CBB M:BCL1304 4.0 34.3 1.0 C3D L:BCL1286 4.0 40.5 1.0 C2D L:BCL1286 4.1 40.6 1.0 C3B L:BCL1286 4.2 37.7 1.0 C2B L:BCL1286 4.3 37.6 1.0 ND1 L:HIS173 4.3 29.9 1.0 C2C L:BCL1286 4.3 33.3 1.0 C3A L:BCL1286 4.3 36.7 1.0 C3C L:BCL1286 4.3 32.0 1.0 CG L:HIS173 4.4 33.2 1.0 C2A L:BCL1286 4.4 38.0 1.0 C3B M:BCL1304 4.4 36.3 1.0 CD1 L:PHE167 4.7 39.9 1.0 CBD L:BCL1286 4.9 37.5 1.0

Magnesium binding site 3 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg1303 b:33.4 occ:1.00 MG M:BCL1303 0.0 33.4 1.0 NE2 M:HIS182 2.0 45.5 1.0 ND M:BCL1303 2.0 32.5 1.0 NB M:BCL1303 2.0 35.2 1.0 NC M:BCL1303 2.0 34.2 1.0 NA M:BCL1303 2.1 34.3 1.0 C4D M:BCL1303 2.9 33.5 1.0 C1C M:BCL1303 3.0 33.4 1.0 CE1 M:HIS182 3.0 46.2 1.0 C4C M:BCL1303 3.0 33.6 1.0 CD2 M:HIS182 3.0 47.6 1.0 C4B M:BCL1303 3.0 36.1 1.0 C1A M:BCL1303 3.1 35.0 1.0 C4A M:BCL1303 3.1 33.7 1.0 C1D M:BCL1303 3.1 32.3 1.0 C1B M:BCL1303 3.1 34.8 1.0 CHC M:BCL1303 3.2 34.9 1.0 CHA M:BCL1303 3.4 33.8 1.0 CHD M:BCL1303 3.4 31.6 1.0 CHB M:BCL1303 3.5 33.6 1.0 C3D M:BCL1303 4.1 33.5 1.0 ND1 M:HIS182 4.1 44.0 1.0 CG M:HIS182 4.2 46.1 1.0 C2D M:BCL1303 4.2 32.9 1.0 C3B M:BCL1303 4.2 36.9 1.0 C2B M:BCL1303 4.2 33.9 1.0 C2C M:BCL1303 4.3 32.5 1.0 C3C M:BCL1303 4.3 32.4 1.0 C3A M:BCL1303 4.3 33.3 1.0 C2A M:BCL1303 4.4 35.9 1.0 CE2 L:PHE181 4.7 40.1 1.0 OBB M:BPH1312 4.7 48.0 1.0 CBD M:BCL1303 4.8 37.2 1.0 C18 M:SPO1314 4.8 46.5 1.0 CBA M:BCL1303 5.0 44.4 1.0

Magnesium binding site 4 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg1304 b:34.9 occ:1.00 MG M:BCL1304 0.0 34.9 1.0 NB M:BCL1304 2.0 35.6 1.0 ND M:BCL1304 2.0 36.0 1.0 NE2 M:HIS202 2.0 35.9 1.0 NC M:BCL1304 2.0 36.7 1.0 NA M:BCL1304 2.1 36.9 1.0 C4D M:BCL1304 2.9 37.0 1.0 CE1 M:HIS202 2.9 34.2 1.0 C1C M:BCL1304 3.0 35.8 1.0 C4C M:BCL1304 3.0 36.3 1.0 C4B M:BCL1304 3.0 36.5 1.0 C1B M:BCL1304 3.0 35.3 1.0 C4A M:BCL1304 3.1 34.7 1.0 C1D M:BCL1304 3.1 37.6 1.0 C1A M:BCL1304 3.1 35.5 1.0 CD2 M:HIS202 3.1 36.4 1.0 CHC M:BCL1304 3.3 35.6 1.0 CHD M:BCL1304 3.3 37.7 1.0 CHB M:BCL1304 3.4 33.8 1.0 CHA M:BCL1304 3.4 36.4 1.0 CBB L:BCL1286 3.5 39.3 1.0 CAB L:BCL1286 3.6 38.1 1.0 OBB L:BCL1286 3.6 38.7 1.0 C3D M:BCL1304 4.1 37.2 1.0 ND1 M:HIS202 4.1 32.7 1.0 C2D M:BCL1304 4.2 36.8 1.0 C2B M:BCL1304 4.2 34.6 1.0 C3B M:BCL1304 4.2 36.3 1.0 CG M:HIS202 4.2 35.7 1.0 C2C M:BCL1304 4.3 33.6 1.0 C3C M:BCL1304 4.3 34.8 1.0 C3A M:BCL1304 4.4 35.4 1.0 C2A M:BCL1304 4.4 35.2 1.0 C3B L:BCL1286 4.5 37.7 1.0 CBD M:BCL1304 4.9 38.6 1.0

J.Koepke, E.M.Krammer, A.R.Klingen, P.Sebban, G.M.Ullmann, G.Fritzsch. pH Modulates the Quinone Position in the Photosynthetic Reaction Center From Rhodobacter Sphaeroides in the Neutral and Charge Separated States. J.Mol.Biol. V. 371 396 2007.
ISSN: ISSN 0022-2836
PubMed: 17570397
DOI: 10.1016/J.JMB.2007.04.082