Iron in PDB 3lio: X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I)

All present enzymatic activity of X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I):
1.15.1.1;

The structure of X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I), PDB code: 3lio 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)	14.85 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.866, 103.714, 50.242, 90.00, 108.63, 90.00
R / Rfree (%)	18.5 / 20.2

The binding sites of Iron atom in the X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I) (pdb code 3lio). 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 (Crystal Form I), PDB code: 3lio:
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 (Crystal Form I)


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 (Crystal Form I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe5000 b:12.8 occ:1.00 OD2 A:ASP157 2.0 15.2 1.0 NE2 A:HIS161 2.1 14.4 1.0 NE2 A:HIS73 2.1 15.5 1.0 NE2 A:HIS26 2.1 10.6 1.0 O A:HOH1039 2.3 12.6 1.0 CE1 A:HIS26 3.0 12.4 1.0 CG A:ASP157 3.0 12.8 1.0 CD2 A:HIS73 3.0 13.1 1.0 CD2 A:HIS161 3.1 12.4 1.0 CE1 A:HIS161 3.1 11.1 1.0 CE1 A:HIS73 3.1 13.9 1.0 CD2 A:HIS26 3.2 12.3 1.0 OD1 A:ASP157 3.4 15.6 1.0 ND1 A:HIS26 4.2 12.5 1.0 CG A:HIS73 4.2 14.1 1.0 ND1 A:HIS73 4.2 13.1 1.0 CG A:HIS161 4.2 13.6 1.0 ND1 A:HIS161 4.3 14.3 1.0 CG A:HIS26 4.3 12.3 1.0 CH2 A:TRP122 4.3 12.3 1.0 CB A:ASP157 4.3 11.3 1.0 CB A:TRP159 4.5 11.9 1.0 CZ2 A:TRP122 4.5 12.5 1.0 CG A:TRP159 4.8 10.7 1.0 CB A:ALA162 4.9 14.9 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I)


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 (Crystal Form I) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe5001 b:12.6 occ:1.00 OD2 B:ASP157 1.9 15.6 1.0 NE2 B:HIS161 2.0 14.4 1.0 NE2 B:HIS26 2.1 10.6 1.0 NE2 B:HIS73 2.1 15.5 1.0 O B:HOH1054 2.2 13.2 1.0 CE1 B:HIS26 2.9 12.9 1.0 CG B:ASP157 3.0 13.7 1.0 CD2 B:HIS161 3.0 13.5 1.0 CE1 B:HIS161 3.1 13.2 1.0 CD2 B:HIS73 3.1 12.1 1.0 CE1 B:HIS73 3.1 14.6 1.0 CD2 B:HIS26 3.2 12.9 1.0 OD1 B:ASP157 3.4 14.9 1.0 ND1 B:HIS26 4.2 13.3 1.0 ND1 B:HIS161 4.2 13.3 1.0 CG B:HIS161 4.2 14.4 1.0 CG B:HIS73 4.2 12.9 1.0 ND1 B:HIS73 4.2 13.7 1.0 CG B:HIS26 4.3 10.9 1.0 CB B:ASP157 4.3 11.1 1.0 CH2 B:TRP122 4.4 13.6 1.0 CB B:TRP159 4.4 12.0 1.0 CZ2 B:TRP122 4.5 13.2 1.0 CG B:TRP159 4.8 11.3 1.0 CB B:ALA162 4.9 13.4 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