Magnesium in PDB 3esz: K2AK3A Flavodoxin From Anabaena

The structure of K2AK3A Flavodoxin From Anabaena, PDB code: 3esz was solved by B.Herguedas, M.Martinez-Julvez, J.Hermoso, G.Goni, M.Medina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.667, 65.697, 75.643, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 19.6

The binding sites of Magnesium atom in the K2AK3A Flavodoxin From Anabaena (pdb code 3esz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the K2AK3A Flavodoxin From Anabaena, PDB code: 3esz:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the K2AK3A Flavodoxin From Anabaena


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of K2AK3A Flavodoxin From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg171 b:21.5 occ:1.00 O A:HOH361 2.1 17.3 1.0 O A:HOH220 2.2 17.0 1.0 O A:HOH185 2.2 20.1 1.0 O A:HOH251 2.2 15.8 1.0 OD1 A:ASP43 4.0 20.0 1.0 O A:HOH412 4.1 30.8 1.0 OD2 A:ASP46 4.2 15.3 1.0 O A:THR42 4.2 19.1 1.0 OD1 A:ASP46 4.2 16.3 1.0 OG1 A:THR42 4.2 20.5 1.0 C A:THR42 4.5 19.4 1.0 N A:ASP43 4.6 18.4 1.0 CA A:ASP43 4.6 18.3 1.0 CG A:ASP46 4.7 15.8 1.0 O A:HOH331 4.7 23.4 1.0 CB A:THR42 4.8 20.4 1.0

Magnesium binding site 2 out of 3 in the K2AK3A Flavodoxin From Anabaena


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of K2AK3A Flavodoxin From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg172 b:27.1 occ:1.00 O A:HOH325 1.9 28.0 1.0 OD2 A:ASP74 1.9 26.4 1.0 O A:HOH215 2.1 23.8 1.0 O A:HOH356 2.2 23.9 1.0 CG A:ASP74 2.9 25.1 1.0 CB A:ASP74 3.7 25.0 1.0 OD1 A:ASP74 3.8 27.0 1.0 O A:HOH442 3.8 42.6 1.0 NZ A:LYS108 3.9 23.1 1.0 O A:SER71 4.3 25.3 1.0 O A:HOH213 4.5 26.0 1.0 O A:HOH380 4.8 36.0 1.0 CE A:LYS108 4.9 21.9 1.0

Magnesium binding site 3 out of 3 in the K2AK3A Flavodoxin From Anabaena


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of K2AK3A Flavodoxin From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg171 b:14.7 occ:1.00 OD2 B:ASP24 2.0 16.5 1.0 O B:HOH322 2.0 11.6 1.0 O B:HOH355 2.1 21.6 1.0 O B:HOH354 2.1 17.0 1.0 O B:HOH358 2.1 21.3 1.0 O B:HOH357 2.2 25.8 1.0 CG B:ASP24 3.1 17.0 1.0 CB B:ASP24 3.7 16.8 1.0 O B:HOH324 3.9 27.1 1.0 OD1 B:ASP24 4.1 17.6 1.0 O B:HOH197 4.4 20.1 1.0 O B:GLU20 4.5 13.0 1.0 NH2 B:ARG23 4.6 17.3 1.0 CA B:ILE21 4.9 12.9 1.0

G.Goni, B.Herguedas, M.Hervas, J.R.Peregrina, M.A.De La Rosa, C.Gomez-Moreno, J.A.Navarro, J.A.Hermoso, M.Martinez-Julvez, M.Medina. Flavodoxin: A Compromise Between Efficiency and Versatility in the Electron Transfer From Photosystem I to Ferredoxin-Nadp(+) Reductase Biochim.Biophys.Acta V.1787 144 2009.
ISSN: ISSN 0006-3002
PubMed: 19150326
DOI: 10.1016/J.BBABIO.2008.12.006