Magnesium in PDB 2hh1: Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine

The structure of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine, PDB code: 2hh1 was solved by A.W.Roszak, A.T.Gardiner, N.W.Isaacs, R.J.Cogdell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.03 / 2.55
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.543, 139.543, 183.965, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 21

The structure of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine also contains other interesting chemical elements:

Potassium	(K)	1 atom
Bromine	(Br)	2 atoms
Iron	(Fe)	1 atom

The binding sites of Magnesium atom in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine (pdb code 2hh1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine, PDB code: 2hh1:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg312 b:49.0 occ:1.00 MG L:BCL312 0.0 49.0 1.0 ND L:BCL312 2.0 46.2 1.0 NB L:BCL312 2.1 45.3 1.0 NC L:BCL312 2.1 45.1 1.0 NA L:BCL312 2.2 45.0 1.0 NE2 L:HIS173 2.2 42.3 1.0 C4D L:BCL312 3.0 48.7 1.0 C4B L:BCL312 3.1 45.3 1.0 C1C L:BCL312 3.1 42.6 1.0 C1D L:BCL312 3.1 45.2 1.0 C1B L:BCL312 3.1 46.1 1.0 C4C L:BCL312 3.1 43.9 1.0 C4A L:BCL312 3.1 45.3 1.0 CE1 L:HIS173 3.2 44.0 1.0 CD2 L:HIS173 3.2 44.6 1.0 C1A L:BCL312 3.2 45.9 1.0 CHD L:BCL312 3.4 45.6 1.0 CHC L:BCL312 3.4 45.0 1.0 CHB L:BCL312 3.4 45.9 1.0 CHA L:BCL312 3.5 46.8 1.0 CBB M:BCL313 3.6 47.7 1.0 CAB M:BCL313 3.8 49.3 1.0 OBB M:BCL313 3.9 48.5 1.0 C3D L:BCL312 4.2 48.3 1.0 C2D L:BCL312 4.3 47.5 1.0 ND1 L:HIS173 4.3 45.0 1.0 C3B L:BCL312 4.3 45.8 1.0 C2B L:BCL312 4.3 44.7 1.0 CG L:HIS173 4.3 47.0 1.0 C2C L:BCL312 4.4 42.9 1.0 C3A L:BCL312 4.4 47.4 1.0 C3C L:BCL312 4.4 44.5 1.0 C2A L:BCL312 4.5 46.8 1.0 C3B M:BCL313 4.6 45.9 1.0 CD2 L:PHE167 4.6 45.5 1.0 CMA L:BCL312 5.0 44.1 1.0 CBD L:BCL312 5.0 48.6 1.0

Magnesium binding site 2 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg314 b:46.6 occ:1.00 MG L:BCL314 0.0 46.6 1.0 NC L:BCL314 2.0 44.8 1.0 ND L:BCL314 2.1 43.6 1.0 NB L:BCL314 2.1 44.7 1.0 NA L:BCL314 2.2 45.8 1.0 NE2 L:HIS153 2.3 43.6 1.0 C1C L:BCL314 3.0 47.1 1.0 C4D L:BCL314 3.0 44.2 1.0 C4B L:BCL314 3.1 46.9 1.0 C4C L:BCL314 3.1 44.6 1.0 C1B L:BCL314 3.1 46.4 1.0 CD2 L:HIS153 3.1 46.5 1.0 C4A L:BCL314 3.1 45.0 1.0 C1D L:BCL314 3.1 44.2 1.0 C1A L:BCL314 3.2 45.4 1.0 CHC L:BCL314 3.3 48.2 1.0 CE1 L:HIS153 3.4 46.7 1.0 CHB L:BCL314 3.5 43.4 1.0 CHD L:BCL314 3.5 43.0 1.0 CHA L:BCL314 3.5 45.8 1.0 C3D L:BCL314 4.2 44.6 1.0 CBB L:BPH402 4.3 45.0 1.0 C3B L:BCL314 4.3 46.1 1.0 C2D L:BCL314 4.3 43.7 1.0 C2C L:BCL314 4.3 47.2 1.0 C2B L:BCL314 4.3 45.7 1.0 CG L:HIS153 4.3 48.3 1.0 C3C L:BCL314 4.4 44.5 1.0 C3A L:BCL314 4.4 45.0 1.0 ND1 L:HIS153 4.5 49.4 1.0 C2A L:BCL314 4.5 45.7 1.0 CE2 M:TYR210 4.7 47.7 1.0 CBC L:BCL314 4.8 44.0 1.0 C19 L:BPH402 4.8 50.9 1.0 CD1 L:LEU154 4.8 47.3 1.0 CBD L:BCL314 5.0 45.6 1.0 CBA L:BCL314 5.0 50.5 1.0 CMC L:BCL314 5.0 47.2 1.0

Magnesium binding site 3 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg311 b:49.8 occ:1.00 MG M:BCL311 0.0 49.8 1.0 ND M:BCL311 2.0 49.9 1.0 NB M:BCL311 2.1 50.0 1.0 NC M:BCL311 2.1 50.5 1.0 NA M:BCL311 2.2 49.1 1.0 NE2 M:HIS182 2.2 43.1 1.0 C4D M:BCL311 2.9 48.2 1.0 C1C M:BCL311 3.1 50.1 1.0 C4B M:BCL311 3.1 49.9 1.0 C1D M:BCL311 3.1 48.1 1.0 C1B M:BCL311 3.1 51.1 1.0 C4C M:BCL311 3.1 50.9 1.0 CD2 M:HIS182 3.1 48.0 1.0 C4A M:BCL311 3.1 48.4 1.0 C1A M:BCL311 3.2 49.3 1.0 CE1 M:HIS182 3.3 48.5 1.0 CHC M:BCL311 3.4 51.1 1.0 CHD M:BCL311 3.4 48.8 1.0 CHB M:BCL311 3.4 49.7 1.0 CHA M:BCL311 3.5 48.8 1.0 C3D M:BCL311 4.1 49.2 1.0 C2D M:BCL311 4.2 48.5 1.0 C2B M:BCL311 4.3 52.4 1.0 C3B M:BCL311 4.3 53.8 1.0 CG M:HIS182 4.3 46.5 1.0 ND1 M:HIS182 4.4 45.5 1.0 C2C M:BCL311 4.4 50.6 1.0 C3C M:BCL311 4.4 50.9 1.0 C3A M:BCL311 4.5 49.3 1.0 C2A M:BCL311 4.6 51.6 1.0 CBB M:BPH401 4.8 46.8 1.0 CBD M:BCL311 4.9 49.7 1.0 CE2 L:PHE181 5.0 50.3 1.0 CMA M:BCL311 5.0 42.5 1.0

Magnesium binding site 4 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg313 b:45.9 occ:1.00 MG M:BCL313 0.0 45.9 1.0 NC M:BCL313 2.0 40.4 1.0 NB M:BCL313 2.1 42.7 1.0 ND M:BCL313 2.1 42.1 1.0 NA M:BCL313 2.2 43.6 1.0 NE2 M:HIS202 2.3 46.3 1.0 C1C M:BCL313 3.0 42.1 1.0 C4D M:BCL313 3.0 42.5 1.0 C1B M:BCL313 3.0 45.2 1.0 C4C M:BCL313 3.0 39.3 1.0 C4B M:BCL313 3.1 45.4 1.0 C4A M:BCL313 3.1 45.5 1.0 C1D M:BCL313 3.2 41.3 1.0 C1A M:BCL313 3.2 44.9 1.0 CE1 M:HIS202 3.2 47.8 1.0 CD2 M:HIS202 3.3 49.3 1.0 CHC M:BCL313 3.4 42.9 1.0 CHB M:BCL313 3.4 43.6 1.0 CHD M:BCL313 3.5 41.3 1.0 CHA M:BCL313 3.5 44.8 1.0 CBB L:BCL312 3.7 41.7 1.0 CAB L:BCL312 3.7 46.7 1.0 OBB L:BCL312 3.9 45.9 1.0 C2C M:BCL313 4.3 41.7 1.0 C2B M:BCL313 4.3 45.9 1.0 C3D M:BCL313 4.3 41.5 1.0 C3C M:BCL313 4.3 41.6 1.0 C3B M:BCL313 4.3 45.9 1.0 ND1 M:HIS202 4.4 47.1 1.0 C2D M:BCL313 4.4 42.2 1.0 CG M:HIS202 4.4 47.4 1.0 C3A M:BCL313 4.5 47.3 1.0 C3B L:BCL312 4.5 45.8 1.0 C2A M:BCL313 4.5 46.8 1.0 CMC M:BCL313 4.8 41.4 1.0 CBD M:BCL313 4.9 44.4 1.0

A.W.Roszak, A.T.Gardiner, N.W.Isaacs, R.J.Cogdell. Brominated Lipids Identify Lipid Binding Sites on the Surface of the Reaction Center From Rhodobacter Sphaeroides. Biochemistry V. 46 2909 2007.
ISSN: ISSN 0006-2960
PubMed: 17315985
DOI: 10.1021/BI062154I