Magnesium in PDB 1xf6: High Resolution Crystal Structure of Phycoerythrin 545 From the Marine Cryptophyte Rhodomonas CS24

The structure of High Resolution Crystal Structure of Phycoerythrin 545 From the Marine Cryptophyte Rhodomonas CS24, PDB code: 1xf6 was solved by A.B.Doust, C.N.J.Marai, S.J.Harrop, K.E.Wilk, P.M.G.Curmi, G.D.Scholes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.86 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.980, 82.555, 89.530, 90.00, 90.00, 90.00
R / Rfree (%)	9.6 / 11.6

The structure of High Resolution Crystal Structure of Phycoerythrin 545 From the Marine Cryptophyte Rhodomonas CS24 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the High Resolution Crystal Structure of Phycoerythrin 545 From the Marine Cryptophyte Rhodomonas CS24 (pdb code 1xf6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the High Resolution Crystal Structure of Phycoerythrin 545 From the Marine Cryptophyte Rhodomonas CS24, PDB code: 1xf6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the High Resolution Crystal Structure of Phycoerythrin 545 From the Marine Cryptophyte Rhodomonas CS24


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of High Resolution Crystal Structure of Phycoerythrin 545 From the Marine Cryptophyte Rhodomonas CS24 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2001 b:5.8 occ:1.00 O A:HOH2003 2.0 5.9 1.0 O A:HOH2002 2.0 7.3 1.0 O B:HOH1055 2.1 9.1 1.0 O B:HOH1054 2.1 6.5 1.0 O B:HOH1053 2.1 7.1 1.0 O D:HOH2003 2.1 8.8 1.0 O D:HOH2089 3.9 20.4 1.0 OXT A:ASN76 4.0 9.4 1.0 O D:HOH2242 4.0 5.8 1.0 OE2 A:GLU65 4.0 6.7 1.0 O D:HOH2088 4.1 15.4 1.0 OD2 B:ASP15 4.1 7.0 1.0 O A:PHE64 4.1 5.6 1.0 O A:THR63 4.1 6.6 1.0 O B:HOH1154 4.2 5.1 0.5 O A:ASN76 4.2 7.8 1.0 O D:HOH2090 4.3 10.9 1.0 O D:SER152 4.5 7.1 1.0 O B:ASP15 4.5 5.6 1.0 CG B:ASP15 4.5 5.7 1.0 C A:ASN76 4.6 7.1 1.0 O B:HOH1155 4.6 8.3 1.0 CB B:ASP15 4.7 5.9 1.0 C A:PHE64 4.8 5.0 1.0 ND2 D:ASN42 4.8 5.5 1.0 CB A:PHE64 4.9 6.0 1.0 CZ A:PHE72 4.9 6.4 1.0 CB D:SER152 5.0 7.2 1.0

Magnesium binding site 2 out of 2 in the High Resolution Crystal Structure of Phycoerythrin 545 From the Marine Cryptophyte Rhodomonas CS24


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of High Resolution Crystal Structure of Phycoerythrin 545 From the Marine Cryptophyte Rhodomonas CS24 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2002 b:9.1 occ:0.50 O D:HOH2008 2.1 11.3 0.5 O D:HOH2005 2.1 11.3 0.5 O D:HOH2006 2.1 11.2 0.5 O D:HOH2009 2.1 8.8 0.5 O D:HOH2004 2.1 9.7 0.5 O D:HOH2007 2.1 9.8 0.5 O D:HOH2268 3.8 24.6 1.0 O D:HOH2358 3.9 29.9 1.0 OD1 D:ASP107 4.0 12.3 1.0 O D:HOH2332 4.2 27.6 1.0 O D:HOH2295 4.2 25.9 1.0 OG D:SER103 4.2 13.1 1.0 OD2 D:ASP107 4.2 13.4 1.0 O D:HOH2293 4.3 30.8 1.0 O D:HOH2286 4.3 27.3 1.0 OE1 D:GLU106 4.3 17.0 1.0 CG D:ASP107 4.6 10.6 1.0 CB D:SER103 4.7 10.1 1.0

A.B.Doust, C.N.J.Marai, S.J.Harrop, K.E.Wilk, P.M.G.Curmi, G.D.Scholes. Developing A Structure-Function Model For the Cryptophyte Phycoerythrin 545 Using Ultrahigh Resolution Crystallography and Ultrafast Laser Spectroscopy J.Mol.Biol. V. 344 135 2004.
ISSN: ISSN 0022-2836
PubMed: 15504407
DOI: 10.1016/J.JMB.2004.09.044