Magnesium in PDB 2iyn: The Co-Factor-Induced Pre-Active Conformation in Phob

The structure of The Co-Factor-Induced Pre-Active Conformation in Phob, PDB code: 2iyn was solved by M.Sola, D.L.Drew, A.G.Blanco, F.X.Gomis-Ruth, M.Coll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.08
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	50.742, 105.829, 135.510, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 30.5

The binding sites of Magnesium atom in the The Co-Factor-Induced Pre-Active Conformation in Phob (pdb code 2iyn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Co-Factor-Induced Pre-Active Conformation in Phob, PDB code: 2iyn:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the The Co-Factor-Induced Pre-Active Conformation in Phob


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Co-Factor-Induced Pre-Active Conformation in Phob within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1122 b:20.8 occ:1.00 OD1 A:ASP53 2.0 16.4 1.0 O A:HOH2020 2.0 19.1 1.0 OD1 A:ASP10 2.0 16.1 1.0 O A:HOH2019 2.1 8.5 1.0 O A:MET55 2.5 14.4 1.0 CG A:ASP10 2.9 13.6 1.0 OD2 A:ASP10 2.9 14.1 1.0 CG A:ASP53 3.1 14.9 1.0 OD2 A:ASP53 3.4 11.8 1.0 C A:MET55 3.7 13.3 1.0 OE2 A:GLU9 4.1 17.4 1.0 CB A:ASP10 4.3 11.4 1.0 CB A:ASP53 4.4 14.6 1.0 OE1 A:GLU11 4.5 13.2 1.0 N A:MET55 4.5 14.3 1.0 CA A:MET55 4.5 13.5 1.0 N A:ASP10 4.5 11.8 1.0 NZ A:LYS105 4.6 15.4 1.0 CB A:MET55 4.6 13.5 1.0 N A:LEU56 4.7 12.6 1.0 CA A:LEU56 4.8 12.7 1.0 CD2 A:LEU56 4.8 10.0 1.0 CD A:GLU9 4.9 14.1 1.0 CA A:ASP10 4.9 11.5 1.0 CG A:GLU11 5.0 10.4 1.0

Magnesium binding site 2 out of 3 in the The Co-Factor-Induced Pre-Active Conformation in Phob


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Co-Factor-Induced Pre-Active Conformation in Phob within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1125 b:19.2 occ:1.00 OD1 B:ASP53 1.8 15.0 1.0 OD1 B:ASP10 2.0 14.1 1.0 O B:HOH2002 2.1 10.4 1.0 O B:HOH2016 2.1 21.5 1.0 O B:MET55 2.8 25.1 1.0 CG B:ASP53 2.9 15.2 1.0 CG B:ASP10 3.1 12.3 1.0 OD2 B:ASP53 3.2 16.0 1.0 OD2 B:ASP10 3.4 18.2 1.0 OE2 B:GLU9 3.8 6.9 1.0 C B:MET55 3.9 24.5 1.0 CB B:ASP53 4.2 16.0 1.0 CB B:ASP10 4.3 9.7 1.0 OE1 B:GLU11 4.3 14.7 1.0 N B:ASP10 4.4 8.5 1.0 NZ B:LYS105 4.7 16.7 1.0 CA B:LEU56 4.7 26.2 1.0 CG B:GLU11 4.7 10.5 1.0 CD B:GLU9 4.7 8.5 1.0 N B:LEU56 4.8 26.2 1.0 CA B:ASP10 4.8 8.9 1.0 CA B:MET55 4.9 24.0 1.0 O B:HOH2017 4.9 22.3 1.0 N B:MET55 4.9 22.7 1.0 CD2 B:LEU56 4.9 18.2 1.0

Magnesium binding site 3 out of 3 in the The Co-Factor-Induced Pre-Active Conformation in Phob


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Co-Factor-Induced Pre-Active Conformation in Phob within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1123 b:11.4 occ:1.00 OD1 C:ASP53 1.9 2.8 1.0 O C:HOH2002 1.9 10.8 1.0 O C:HOH2003 2.1 13.6 1.0 O C:HOH2016 2.2 18.7 1.0 OD1 C:ASP10 2.2 10.1 1.0 O C:MET55 2.2 9.0 1.0 CG C:ASP53 2.9 9.2 1.0 CG C:ASP10 3.2 10.7 1.0 OD2 C:ASP53 3.3 5.8 1.0 C C:MET55 3.4 9.3 1.0 OD2 C:ASP10 3.5 11.0 1.0 OE2 C:GLU9 3.9 9.8 1.0 CB C:ASP53 4.2 9.1 1.0 CA C:MET55 4.3 9.5 1.0 N C:ASP10 4.4 9.5 1.0 N C:LEU56 4.4 9.3 1.0 NZ C:LYS105 4.4 17.5 1.0 CB C:MET55 4.4 8.7 1.0 N C:MET55 4.4 8.9 1.0 O C:HOH2017 4.4 18.9 1.0 CD2 C:LEU56 4.5 10.5 1.0 CA C:LEU56 4.6 10.2 1.0 CB C:ASP10 4.6 10.8 1.0 OE1 C:GLU11 4.6 15.4 1.0 CD C:GLU9 4.7 8.3 1.0 CE C:MET55 4.8 6.8 1.0 OE1 C:GLU9 4.8 11.0 1.0 CA C:ASP10 5.0 10.9 1.0

M.Sola, D.L.Drew, A.G.Blanco, F.X.Gomis-Ruth, M.Coll. The Cofactor-Induced Pre-Active Conformation in Phob. Acta Crystallogr.,Sect.D V. 62 1046 2006.
ISSN: ISSN 0907-4449
PubMed: 16929106
DOI: 10.1107/S0907444906024541