Iron in PDB 3lj9: X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis in Complex with Sodium Azide

All present enzymatic activity of X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis in Complex with Sodium Azide:
1.15.1.1;

The structure of X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis in Complex with Sodium Azide, PDB code: 3lj9 was solved by A.Merlino, I.Russo Krauss, B.Rossi, M.Conte, A.Vergara, F.Sica, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.44 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.134, 103.527, 50.586, 90.00, 108.29, 90.00
R / Rfree (%)	20.3 / 25.6

The binding sites of Iron atom in the X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis in Complex with Sodium Azide (pdb code 3lj9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis in Complex with Sodium Azide, PDB code: 3lj9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis in Complex with Sodium Azide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis in Complex with Sodium Azide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:22.1 occ:1.00 N1 A:AZI201 2.0 37.4 1.0 OD2 A:ASP157 2.0 25.4 1.0 NE2 A:HIS26 2.1 15.8 1.0 NE2 A:HIS73 2.2 21.2 1.0 NE2 A:HIS161 2.2 25.1 1.0 O A:HOH6181 2.3 16.7 1.0 N2 A:AZI201 2.8 36.8 1.0 CE1 A:HIS26 3.0 19.6 1.0 CD2 A:HIS161 3.1 25.1 1.0 CD2 A:HIS73 3.1 22.0 1.0 CG A:ASP157 3.2 22.3 1.0 CE1 A:HIS73 3.2 21.8 1.0 CD2 A:HIS26 3.2 15.4 1.0 CE1 A:HIS161 3.3 26.6 1.0 OD1 A:ASP157 3.6 22.0 1.0 N3 A:AZI201 3.7 34.1 1.0 ND1 A:HIS26 4.1 19.1 1.0 CG A:HIS26 4.3 19.1 1.0 ND1 A:HIS73 4.3 19.8 1.0 CG A:HIS73 4.3 19.8 1.0 CG A:HIS161 4.3 25.7 1.0 ND1 A:HIS161 4.3 24.8 1.0 CB A:ASP157 4.4 21.9 1.0 CB A:TRP159 4.6 16.7 1.0 CH2 A:TRP122 4.6 13.2 1.0 CZ2 A:TRP122 4.6 16.0 1.0 CG A:TRP159 4.8 18.5 1.0 CB A:ALA162 5.0 19.5 1.0 CD1 A:TRP159 5.0 17.6 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis in Complex with Sodium Azide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis in Complex with Sodium Azide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe204 b:21.3 occ:1.00 OD2 B:ASP157 2.0 19.6 1.0 NE2 B:HIS73 2.1 19.7 1.0 NE2 B:HIS26 2.1 15.1 1.0 NE2 B:HIS161 2.2 17.2 1.0 O B:HOH6195 2.3 17.8 1.0 N1 B:AZI200 2.5 45.2 1.0 CE1 B:HIS73 2.8 17.9 1.0 CE1 B:HIS26 3.0 16.8 1.0 N2 B:AZI200 3.0 45.9 1.0 CG B:ASP157 3.1 22.0 1.0 CD2 B:HIS161 3.1 16.7 1.0 CD2 B:HIS73 3.2 17.1 1.0 CD2 B:HIS26 3.2 12.0 1.0 CE1 B:HIS161 3.3 18.5 1.0 OD1 B:ASP157 3.6 17.9 1.0 N3 B:AZI200 3.8 44.1 1.0 ND1 B:HIS73 4.0 16.6 1.0 ND1 B:HIS26 4.1 16.5 1.0 CG B:HIS73 4.2 19.0 1.0 CG B:HIS26 4.3 14.7 1.0 CG B:HIS161 4.3 20.8 1.0 ND1 B:HIS161 4.3 21.7 1.0 CB B:ASP157 4.3 20.4 1.0 CB B:TRP159 4.5 16.3 1.0 CH2 B:TRP122 4.6 16.3 1.0 CZ2 B:TRP122 4.7 18.3 1.0 CG B:TRP159 4.8 17.3 1.0 NE2 B:GLN69 5.0 18.0 1.0

A.Merlino, I.Russo Krauss, I.Castellano, E.De Vendittis, B.Rossi, M.Conte, A.Vergara, F.Sica. Structure and Flexibility in Cold-Adapted Iron Superoxide Dismutases: the Case of the Enzyme Isolated From Pseudoalteromonas Haloplanktis. J.Struct.Biol. V. 172 343 2010.
ISSN: ISSN 1047-8477
PubMed: 20732427
DOI: 10.1016/J.JSB.2010.08.008