Magnesium in PDB 1rqk: Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene

The structure of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene, PDB code: 1rqk was solved by A.W.Roszak, H.Hashimoto, A.T.Gardiner, R.J.Cogdell, N.W.Isaacs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.29 / 2.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.718, 141.718, 187.179, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 19.4

The structure of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene also contains other interesting chemical elements:

Iron

(Fe)

1 atom

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

Magnesium binding site 1 out of 4 in the Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:43.0 occ:1.00 MG L:BCL302 0.0 43.0 1.0 ND L:BCL302 2.1 43.0 1.0 NB L:BCL302 2.1 41.0 1.0 NC L:BCL302 2.1 41.4 1.0 NE2 L:HIS173 2.1 37.6 1.0 NA L:BCL302 2.2 43.2 1.0 C4D L:BCL302 3.0 45.0 1.0 C1C L:BCL302 3.1 39.6 1.0 C4B L:BCL302 3.1 40.3 1.0 C1B L:BCL302 3.1 39.2 1.0 CD2 L:HIS173 3.1 38.5 1.0 C1D L:BCL302 3.1 43.1 1.0 C4C L:BCL302 3.1 40.0 1.0 C4A L:BCL302 3.1 42.9 1.0 CE1 L:HIS173 3.2 38.8 1.0 C1A L:BCL302 3.3 43.4 1.0 CHB L:BCL302 3.4 41.2 1.0 CHC L:BCL302 3.4 39.5 1.0 CHD L:BCL302 3.5 42.2 1.0 CHA L:BCL302 3.5 43.5 1.0 OBB M:BCL502 3.8 46.5 1.0 CAB M:BCL502 4.1 44.1 1.0 C3D L:BCL302 4.2 42.6 1.0 ND1 L:HIS173 4.3 39.7 1.0 CG L:HIS173 4.3 40.0 1.0 C2D L:BCL302 4.3 43.3 1.0 C2B L:BCL302 4.3 38.6 1.0 C3B L:BCL302 4.3 40.1 1.0 CBB M:BCL502 4.4 45.6 1.0 C2C L:BCL302 4.4 37.6 1.0 C3C L:BCL302 4.4 37.8 1.0 C3A L:BCL302 4.4 43.0 1.0 C2A L:BCL302 4.5 44.5 1.0 CD2 L:PHE167 4.7 43.7 1.0 C3B M:BCL502 4.8 43.0 1.0 CMA L:BCL302 4.9 42.5 1.0 CBD L:BCL302 5.0 43.4 1.0

Magnesium binding site 2 out of 4 in the Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg304 b:40.5 occ:1.00 MG L:BCL304 0.0 40.5 1.0 ND L:BCL304 2.0 40.0 1.0 NC L:BCL304 2.1 40.4 1.0 NB L:BCL304 2.1 42.8 1.0 NA L:BCL304 2.1 40.7 1.0 NE2 L:HIS153 2.3 45.8 1.0 C4D L:BCL304 3.0 40.5 1.0 C1C L:BCL304 3.0 40.7 1.0 C4A L:BCL304 3.1 41.5 1.0 C4C L:BCL304 3.1 39.0 1.0 C1B L:BCL304 3.1 44.6 1.0 C4B L:BCL304 3.1 44.1 1.0 C1D L:BCL304 3.1 39.8 1.0 CD2 L:HIS153 3.1 46.8 1.0 C1A L:BCL304 3.2 41.0 1.0 CE1 L:HIS153 3.3 46.4 1.0 CHC L:BCL304 3.4 42.4 1.0 CHB L:BCL304 3.4 42.8 1.0 CHD L:BCL304 3.5 39.7 1.0 CHA L:BCL304 3.5 41.3 1.0 C3D L:BCL304 4.2 39.2 1.0 C2D L:BCL304 4.3 39.5 1.0 C2B L:BCL304 4.3 44.1 1.0 C3B L:BCL304 4.3 44.8 1.0 CG L:HIS153 4.3 46.9 1.0 C3C L:BCL304 4.4 39.0 1.0 C2C L:BCL304 4.4 39.8 1.0 ND1 L:HIS153 4.4 48.2 1.0 C3A L:BCL304 4.4 41.7 1.0 C2A L:BCL304 4.4 41.9 1.0 OBB L:BPH402 4.7 52.8 1.0 CE2 M:TYR210 4.8 44.8 1.0 CBA L:BCL304 4.9 45.0 1.0 CBC L:BCL304 4.9 36.9 1.0 CBD L:BCL304 4.9 41.8 1.0 CD2 L:LEU154 5.0 48.9 1.0

Magnesium binding site 3 out of 4 in the Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg501 b:48.3 occ:1.00 MG M:BCL501 0.0 48.3 1.0 ND M:BCL501 2.0 47.5 1.0 NC M:BCL501 2.1 48.0 1.0 NB M:BCL501 2.1 47.7 1.0 NA M:BCL501 2.2 47.9 1.0 NE2 M:HIS182 2.2 45.0 1.0 C4D M:BCL501 3.0 47.4 1.0 C4C M:BCL501 3.0 46.0 1.0 C1B M:BCL501 3.1 48.2 1.0 C1D M:BCL501 3.1 46.9 1.0 C1C M:BCL501 3.1 46.0 1.0 C4B M:BCL501 3.1 45.9 1.0 C4A M:BCL501 3.1 47.7 1.0 CD2 M:HIS182 3.2 44.3 1.0 CE1 M:HIS182 3.3 46.5 1.0 C1A M:BCL501 3.3 48.1 1.0 CHD M:BCL501 3.4 46.4 1.0 CHB M:BCL501 3.4 47.6 1.0 CHC M:BCL501 3.5 45.2 1.0 CHA M:BCL501 3.5 47.9 1.0 C3D M:BCL501 4.2 46.3 1.0 C2D M:BCL501 4.2 46.8 1.0 C2B M:BCL501 4.3 47.8 1.0 C3B M:BCL501 4.3 48.1 1.0 CG M:HIS182 4.3 43.5 1.0 C3C M:BCL501 4.3 45.0 1.0 ND1 M:HIS182 4.4 44.4 1.0 C2C M:BCL501 4.4 43.5 1.0 C3A M:BCL501 4.5 48.6 1.0 C2A M:BCL501 4.6 51.0 1.0 CBD M:BCL501 5.0 47.8 1.0

Magnesium binding site 4 out of 4 in the Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with 3,4- Dihydrospheroidene within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg502 b:42.9 occ:1.00 MG M:BCL502 0.0 42.9 1.0 ND M:BCL502 2.0 40.8 1.0 NC M:BCL502 2.1 43.1 1.0 NB M:BCL502 2.1 41.1 1.0 NE2 M:HIS202 2.2 42.7 1.0 NA M:BCL502 2.2 40.6 1.0 C4D M:BCL502 2.9 41.5 1.0 C1C M:BCL502 3.0 43.4 1.0 C4B M:BCL502 3.1 41.2 1.0 C4C M:BCL502 3.1 43.2 1.0 C1D M:BCL502 3.1 41.7 1.0 C1B M:BCL502 3.1 41.4 1.0 CD2 M:HIS202 3.1 43.5 1.0 C4A M:BCL502 3.1 41.0 1.0 CE1 M:HIS202 3.2 43.6 1.0 C1A M:BCL502 3.2 41.8 1.0 CHC M:BCL502 3.4 42.0 1.0 CHA M:BCL502 3.4 41.6 1.0 CHB M:BCL502 3.5 41.2 1.0 CHD M:BCL502 3.5 42.0 1.0 CBB L:BCL302 3.6 42.6 1.0 CAB L:BCL302 4.1 40.0 1.0 C3D M:BCL502 4.1 42.0 1.0 C2D M:BCL502 4.3 41.4 1.0 ND1 M:HIS202 4.3 42.0 1.0 CG M:HIS202 4.3 43.2 1.0 C3B M:BCL502 4.3 43.0 1.0 C2B M:BCL502 4.3 42.5 1.0 C2C M:BCL502 4.4 41.9 1.0 C3C M:BCL502 4.4 43.3 1.0 OBB L:BCL302 4.4 38.8 1.0 C3A M:BCL502 4.5 42.8 1.0 C2A M:BCL502 4.5 42.5 1.0 CD1 M:ILE206 4.5 50.6 1.0 CD2 M:LEU196 4.8 46.1 1.0 CBD M:BCL502 4.8 41.6 1.0 C3B L:BCL302 4.8 40.1 1.0 O2D M:BCL502 4.9 44.8 1.0

A.W.Roszak, K.Mckendrick, A.T.Gardiner, I.A.Mitchell, N.W.Isaacs, R.J.Cogdell, H.Hashimoto, H.A.Frank. Protein Regulation of Carotenoid Binding: Gatekeeper and Locking Amino Acid Residues in Reaction Centers of Rhodobacter Sphaeroides Structure V. 12 765 2004.
ISSN: ISSN 0969-2126
PubMed: 15130469
DOI: 10.1016/J.STR.2004.02.037