Magnesium in PDB 4rcr: Structure of the Reaction Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions

The structure of Structure of the Reaction Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions, PDB code: 4rcr was solved by H.Komiya, T.O.Yeates, A.J.Chirino, D.C.Rees, J.P.Allen, G.Feher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	138.000, 77.500, 141.800, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / n/a

The structure of Structure of the Reaction Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the Structure of the Reaction Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions (pdb code 4rcr). 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 Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions, PDB code: 4rcr:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of the Reaction Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions


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 Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg282 b:13.6 occ:1.00 MG L:BCL282 0.0 13.6 1.0 NE2 M:HIS182 1.9 25.0 1.0 NB L:BCL282 2.1 17.2 1.0 NA L:BCL282 2.1 18.0 1.0 NC L:BCL282 2.1 15.5 1.0 ND L:BCL282 2.1 17.0 1.0 CD2 M:HIS182 2.8 27.4 1.0 CE1 M:HIS182 2.9 24.9 1.0 C4A L:BCL282 3.1 18.3 1.0 C1B L:BCL282 3.1 17.8 1.0 C4B L:BCL282 3.1 19.0 1.0 C1C L:BCL282 3.1 17.1 1.0 C1A L:BCL282 3.1 20.4 1.0 C1D L:BCL282 3.1 18.3 1.0 C4C L:BCL282 3.1 15.8 1.0 C4D L:BCL282 3.2 19.1 1.0 CHB L:BCL282 3.4 18.1 1.0 CHD L:BCL282 3.5 18.5 1.0 CHC L:BCL282 3.5 18.9 1.0 CHA L:BCL282 3.5 21.4 1.0 CG M:HIS182 4.0 27.8 1.0 ND1 M:HIS182 4.0 26.1 1.0 C3D L:BCL282 4.3 19.2 1.0 C2D L:BCL282 4.3 19.8 1.0 C2B L:BCL282 4.3 17.9 1.0 C3B L:BCL282 4.3 18.9 1.0 C3A L:BCL282 4.4 19.9 1.0 C2A L:BCL282 4.4 20.3 1.0 C2C L:BCL282 4.4 15.5 1.0 C3C L:BCL282 4.4 14.4 1.0 CBD L:BCL282 5.0 22.6 1.0

Magnesium binding site 2 out of 4 in the Structure of the Reaction Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions


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 Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg283 b:10.1 occ:1.00 MG L:BCL283 0.0 10.1 1.0 NA L:BCL283 2.2 11.2 1.0 ND L:BCL283 2.2 11.1 1.0 NB L:BCL283 2.2 16.0 1.0 NC L:BCL283 2.2 15.3 1.0 NE2 L:HIS173 2.7 30.6 1.0 C4A L:BCL283 3.2 12.8 1.0 C1B L:BCL283 3.2 16.6 1.0 C4D L:BCL283 3.2 13.0 1.0 C1A L:BCL283 3.2 12.9 1.0 C4C L:BCL283 3.2 16.6 1.0 CD2 L:HIS173 3.2 30.6 1.0 C4B L:BCL283 3.2 19.2 1.0 C1D L:BCL283 3.2 12.5 1.0 C1C L:BCL283 3.2 15.5 1.0 CHB L:BCL283 3.5 13.4 1.0 CHA L:BCL283 3.5 14.6 1.0 CHD L:BCL283 3.5 14.3 1.0 CHC L:BCL283 3.5 18.2 1.0 CE1 L:HIS173 3.9 28.5 1.0 CAB M:BCL310 4.3 8.0 1.0 C3D L:BCL283 4.4 13.1 1.0 C2D L:BCL283 4.4 12.4 1.0 C2B L:BCL283 4.4 20.2 1.0 C3B L:BCL283 4.4 20.1 1.0 C3A L:BCL283 4.4 12.9 1.0 C2A L:BCL283 4.4 11.9 1.0 CG L:HIS173 4.5 26.6 1.0 C2C L:BCL283 4.5 16.6 1.0 C3C L:BCL283 4.5 16.6 1.0 OBB M:BCL310 4.5 8.2 1.0 CD1 L:ILE177 4.7 8.0 1.0 C3B M:BCL310 4.7 8.0 1.0 ND1 L:HIS173 4.8 28.5 1.0 CD2 L:PHE167 4.8 9.0 1.0 CBB M:BCL310 4.9 11.8 1.0 CMA L:BCL283 4.9 16.6 1.0 CBD L:BCL283 5.0 14.6 1.0

Magnesium binding site 3 out of 4 in the Structure of the Reaction Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions


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 Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg310 b:8.0 occ:1.00 MG M:BCL310 0.0 8.0 1.0 NC M:BCL310 2.2 8.0 1.0 NB M:BCL310 2.2 8.0 1.0 NA M:BCL310 2.2 8.0 1.0 ND M:BCL310 2.2 8.0 1.0 NE2 M:HIS202 2.2 14.2 1.0 CE1 M:HIS202 2.8 13.3 1.0 C4A M:BCL310 3.1 8.0 1.0 C1C M:BCL310 3.2 8.0 1.0 C1A M:BCL310 3.2 8.0 1.0 C4D M:BCL310 3.2 8.0 1.0 C1B M:BCL310 3.2 8.0 1.0 C4C M:BCL310 3.2 8.0 1.0 C4B M:BCL310 3.2 8.0 1.0 C1D M:BCL310 3.2 8.0 1.0 CD2 M:HIS202 3.3 10.7 1.0 CHA M:BCL310 3.4 8.0 1.0 CHC M:BCL310 3.5 8.0 1.0 CHB M:BCL310 3.5 8.0 1.0 CHD M:BCL310 3.5 8.0 1.0 CBB L:BCL283 3.9 18.8 1.0 ND1 M:HIS202 3.9 14.7 1.0 CAB L:BCL283 4.0 19.1 1.0 OBB L:BCL283 4.2 19.6 1.0 CG M:HIS202 4.2 12.2 1.0 C3D M:BCL310 4.4 8.0 1.0 C2D M:BCL310 4.4 8.0 1.0 C3B M:BCL310 4.4 8.0 1.0 C2B M:BCL310 4.4 8.0 1.0 C2C M:BCL310 4.4 8.0 1.0 C2A M:BCL310 4.4 8.0 1.0 CD1 M:ILE206 4.4 11.7 1.0 C3A M:BCL310 4.5 8.0 1.0 C3C M:BCL310 4.5 8.0 1.0 C3B L:BCL283 4.8 20.1 1.0 CBD M:BCL310 4.9 8.0 1.0 CG1 M:ILE206 4.9 8.0 1.0 CMC M:BCL310 5.0 8.0 1.0

Magnesium binding site 4 out of 4 in the Structure of the Reaction Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions


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 Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg311 b:8.0 occ:1.00 MG M:BCL311 0.0 8.0 1.0 NB M:BCL311 1.9 8.0 1.0 NA M:BCL311 2.1 8.0 1.0 NC M:BCL311 2.1 8.0 1.0 ND M:BCL311 2.4 8.0 1.0 C1B M:BCL311 2.9 8.0 1.0 C4B M:BCL311 2.9 8.0 1.0 C4A M:BCL311 3.0 8.0 1.0 C1C M:BCL311 3.0 8.0 1.0 C1A M:BCL311 3.2 8.0 1.0 C4C M:BCL311 3.2 8.0 1.0 CHC M:BCL311 3.3 8.0 1.0 CHB M:BCL311 3.3 8.0 1.0 C4D M:BCL311 3.4 8.0 1.0 C1D M:BCL311 3.4 8.0 1.0 CHD M:BCL311 3.7 8.0 1.0 CHA M:BCL311 3.7 8.0 1.0 CBB L:BPH284 3.9 18.0 1.0 C3B M:BCL311 4.1 8.0 1.0 C2B M:BCL311 4.1 8.0 1.0 C3A M:BCL311 4.4 8.0 1.0 C2C M:BCL311 4.4 8.0 1.0 CE1 L:HIS153 4.4 37.2 1.0 C2A M:BCL311 4.5 8.3 1.0 C3C M:BCL311 4.5 8.0 1.0 ND1 L:HIS153 4.5 34.1 1.0 C2D M:BCL311 4.6 8.0 1.0 C3D M:BCL311 4.6 8.0 1.0 CBA M:BCL311 4.7 36.5 1.0 CE2 M:TYR210 4.9 16.9 1.0

T.O.Yeates, H.Komiya, A.Chirino, D.C.Rees, J.P.Allen, G.Feher. Structure of the Reaction Center From Rhodobacter Sphaeroides R-26 and 2.4.1: Protein-Cofactor (Bacteriochlorophyll, Bacteriopheophytin, and Carotenoid) Interactions. Proc.Natl.Acad.Sci.Usa V. 85 7993 1988.
ISSN: ISSN 0027-8424
PubMed: 3186702
DOI: 10.1073/PNAS.85.21.7993