Magnesium in PDB 4h99: Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr

The structure of Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr, PDB code: 4h99 was solved by A.J.Mattis, C.A.Wraight, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 2.97
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	138.870, 138.870, 185.490, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 19.4

The structure of Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr (pdb code 4h99). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr, PDB code: 4h99:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg301 b:52.6 occ:1.00 MG L:BCL301 0.0 52.6 1.0 ND L:BCL301 2.0 55.0 1.0 NB L:BCL301 2.0 53.5 1.0 NE2 L:HIS173 2.0 33.8 1.0 NA L:BCL301 2.1 52.4 1.0 NC L:BCL301 2.1 56.1 1.0 CE1 L:HIS173 3.0 30.5 1.0 C4A L:BCL301 3.0 48.9 1.0 C4D L:BCL301 3.0 53.1 1.0 C4B L:BCL301 3.1 55.5 1.0 CD2 L:HIS173 3.1 33.2 1.0 C1C L:BCL301 3.1 54.5 1.0 C1B L:BCL301 3.1 53.1 1.0 C4C L:BCL301 3.1 49.0 1.0 C1D L:BCL301 3.1 54.2 1.0 C1A L:BCL301 3.1 50.2 1.0 CHC L:BCL301 3.3 58.2 1.0 OBB M:BCL403 3.4 62.0 1.0 CHB L:BCL301 3.4 52.2 1.0 CHD L:BCL301 3.5 51.5 1.0 CHA L:BCL301 3.5 50.5 1.0 CAB M:BCL403 4.0 58.7 1.0 ND1 L:HIS173 4.1 29.6 1.0 CG L:HIS173 4.2 32.8 1.0 C2D L:BCL301 4.2 52.7 1.0 C3D L:BCL301 4.3 53.3 1.0 C2B L:BCL301 4.3 51.9 1.0 C3A L:BCL301 4.3 47.1 1.0 C3B L:BCL301 4.3 54.8 1.0 C3C L:BCL301 4.4 44.2 1.0 C2A L:BCL301 4.4 47.4 1.0 C2C L:BCL301 4.4 42.5 1.0 CD2 L:PHE167 4.5 46.4 1.0 CMA L:BCL301 4.7 40.8 1.0 C3B M:BCL403 4.7 58.8 1.0 CBB M:BCL403 4.8 55.3 1.0 CD1 L:ILE177 4.9 37.0 1.0 CBD L:BCL301 5.0 50.8 1.0

Magnesium binding site 2 out of 4 in the Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:35.9 occ:1.00 MG L:BCL302 0.0 35.9 1.0 ND L:BCL302 2.0 28.2 1.0 NB L:BCL302 2.0 32.5 1.0 NA L:BCL302 2.0 29.5 1.0 NC L:BCL302 2.1 32.0 1.0 NE2 L:HIS153 2.2 45.6 1.0 C4D L:BCL302 2.9 31.6 1.0 C4A L:BCL302 3.0 28.3 1.0 C1B L:BCL302 3.0 34.1 1.0 C1D L:BCL302 3.1 32.2 1.0 C1C L:BCL302 3.1 32.8 1.0 C4B L:BCL302 3.1 30.1 1.0 C1A L:BCL302 3.1 33.2 1.0 C4C L:BCL302 3.1 32.4 1.0 CE1 L:HIS153 3.1 48.2 1.0 CD2 L:HIS153 3.2 43.4 1.0 CHB L:BCL302 3.3 30.5 1.0 CHC L:BCL302 3.4 29.7 1.0 CHA L:BCL302 3.5 33.8 1.0 CHD L:BCL302 3.5 31.6 1.0 C3D L:BCL302 4.2 33.4 1.0 C2B L:BCL302 4.2 33.5 1.0 C2D L:BCL302 4.2 31.4 1.0 C3B L:BCL302 4.2 32.8 1.0 ND1 L:HIS153 4.3 48.1 1.0 C3A L:BCL302 4.3 27.1 1.0 CG L:HIS153 4.4 48.4 1.0 C2C L:BCL302 4.4 34.1 1.0 C3C L:BCL302 4.4 34.7 1.0 C2A L:BCL302 4.5 31.5 1.0 CD2 L:LEU154 4.6 45.1 1.0 C19 L:BPH303 4.8 32.8 1.0 OBB L:BPH303 4.8 54.2 1.0 CE2 M:TYR210 4.8 41.6 1.0 CBA L:BCL302 4.9 41.2 1.0 CBD L:BCL302 4.9 37.6 1.0 CMA L:BCL302 5.0 24.3 1.0 CBC L:BCL302 5.0 31.4 1.0

Magnesium binding site 3 out of 4 in the Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg401 b:38.8 occ:1.00 MG M:BCL401 0.0 38.8 1.0 ND M:BCL401 2.0 42.6 1.0 NB M:BCL401 2.0 44.2 1.0 NA M:BCL401 2.1 43.1 1.0 NC M:BCL401 2.1 44.2 1.0 NE2 M:HIS182 2.3 52.9 1.0 C4D M:BCL401 2.9 42.3 1.0 C4B M:BCL401 3.0 45.0 1.0 C1C M:BCL401 3.1 42.5 1.0 C4A M:BCL401 3.1 40.2 1.0 C1A M:BCL401 3.1 41.8 1.0 C4C M:BCL401 3.1 41.1 1.0 CD2 M:HIS182 3.1 52.0 1.0 C1D M:BCL401 3.1 40.6 1.0 C1B M:BCL401 3.1 41.6 1.0 CHC M:BCL401 3.4 43.0 1.0 CHA M:BCL401 3.4 43.3 1.0 CE1 M:HIS182 3.4 51.2 1.0 CHB M:BCL401 3.5 36.9 1.0 CHD M:BCL401 3.6 38.0 1.0 C3D M:BCL401 4.2 40.6 1.0 C3B M:BCL401 4.2 45.8 1.0 C2B M:BCL401 4.3 41.4 1.0 C2D M:BCL401 4.3 40.0 1.0 C3A M:BCL401 4.3 37.7 1.0 CG M:HIS182 4.3 48.3 1.0 C2A M:BCL401 4.4 43.6 1.0 C2C M:BCL401 4.4 39.9 1.0 C3C M:BCL401 4.4 39.9 1.0 ND1 M:HIS182 4.5 49.5 1.0 CBD M:BCL401 4.8 47.0 1.0 CMA M:BCL401 4.8 36.8 1.0 OBB M:BPH404 4.9 60.9 1.0

Magnesium binding site 4 out of 4 in the Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides with Ile M265 Replaced with Thr within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg403 b:54.4 occ:1.00 MG M:BCL403 0.0 54.4 1.0 ND M:BCL403 2.0 54.7 1.0 NB M:BCL403 2.0 55.4 1.0 NC M:BCL403 2.1 53.0 1.0 NA M:BCL403 2.1 55.7 1.0 NE2 M:HIS202 2.1 40.7 1.0 C4B M:BCL403 3.0 56.5 1.0 C4D M:BCL403 3.0 52.6 1.0 C1C M:BCL403 3.0 50.3 1.0 CE1 M:HIS202 3.1 44.7 1.0 C1D M:BCL403 3.1 55.4 1.0 C4C M:BCL403 3.1 49.7 1.0 C4A M:BCL403 3.1 49.9 1.0 C1B M:BCL403 3.1 53.3 1.0 CD2 M:HIS202 3.1 46.3 1.0 C1A M:BCL403 3.2 53.3 1.0 CHC M:BCL403 3.3 55.3 1.0 CHB M:BCL403 3.4 49.5 1.0 CHD M:BCL403 3.5 53.4 1.0 CBB L:BCL301 3.5 51.3 1.0 CHA M:BCL403 3.5 53.1 1.0 CAB L:BCL301 3.8 55.3 1.0 OBB L:BCL301 4.0 51.7 1.0 C3B M:BCL403 4.2 58.8 1.0 C3D M:BCL403 4.2 51.4 1.0 ND1 M:HIS202 4.2 41.6 1.0 C2B M:BCL403 4.2 55.0 1.0 C2D M:BCL403 4.3 52.6 1.0 CG M:HIS202 4.3 41.7 1.0 C2C M:BCL403 4.3 40.0 1.0 C3C M:BCL403 4.4 42.8 1.0 C3A M:BCL403 4.4 50.2 1.0 C2A M:BCL403 4.5 49.6 1.0 C3B L:BCL301 4.6 54.8 1.0 CMC M:BCL403 4.8 30.4 1.0 O2D M:BCL403 4.9 44.4 1.0 CD1 M:LEU196 4.9 42.1 1.0 CBD M:BCL403 5.0 51.9 1.0

A.J.Mattis, C.A.Wraight. Bacterial Photosynthetic Reaction Center From Rhodobacter Sphaeroides To Be Published.