Iron in PDB 6jov: Crystal Structure of A Hypothetical Fe Superoxide Dismutase

All present enzymatic activity of Crystal Structure of A Hypothetical Fe Superoxide Dismutase:
1.15.1.1;

The structure of Crystal Structure of A Hypothetical Fe Superoxide Dismutase, PDB code: 6jov was solved by S.Bose, S.S.Purushothaman, R.Subramanian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.90 / 1.94
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.018, 55.088, 74.623, 82.28, 89.61, 68.49
R / Rfree (%)	18.1 / 22.7

The binding sites of Iron atom in the Crystal Structure of A Hypothetical Fe Superoxide Dismutase (pdb code 6jov). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of A Hypothetical Fe Superoxide Dismutase, PDB code: 6jov:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of A Hypothetical Fe Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Hypothetical Fe Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.1 occ:1.00 OD2 A:ASP161 2.0 11.7 1.0 NE2 A:HIS79 2.0 9.2 1.0 NE2 A:HIS27 2.1 7.2 1.0 NE2 A:HIS165 2.1 12.2 1.0 O A:HOH336 2.3 9.2 1.0 CD2 A:HIS79 3.0 9.8 1.0 CE1 A:HIS27 3.0 11.5 1.0 CE1 A:HIS79 3.0 9.9 1.0 CG A:ASP161 3.1 13.0 1.0 CD2 A:HIS165 3.1 11.1 1.0 CD2 A:HIS27 3.1 10.4 1.0 CE1 A:HIS165 3.2 15.1 1.0 OD1 A:ASP161 3.5 10.5 1.0 CG A:HIS79 4.1 11.8 1.0 ND1 A:HIS79 4.1 9.3 1.0 ND1 A:HIS27 4.1 13.9 1.0 CG A:HIS27 4.2 10.6 1.0 CG A:HIS165 4.3 10.0 1.0 ND1 A:HIS165 4.3 11.2 1.0 CH2 A:TRP128 4.3 12.6 1.0 CB A:ASP161 4.3 13.6 1.0 CZ2 A:TRP128 4.4 12.5 1.0 CB A:TRP163 4.5 10.1 1.0 CG A:TRP163 4.8 13.4 1.0 CB A:ALA166 4.9 10.9 1.0 NE2 A:GLN75 4.9 13.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Hypothetical Fe Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of A Hypothetical Fe Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:8.8 occ:1.00 OD2 B:ASP161 2.0 11.5 1.0 NE2 B:HIS79 2.0 11.6 1.0 NE2 B:HIS27 2.1 7.5 1.0 NE2 B:HIS165 2.2 14.2 1.0 O B:HOH338 2.4 11.6 1.0 CE1 B:HIS79 2.9 12.9 1.0 CD2 B:HIS79 3.0 11.7 1.0 CD2 B:HIS165 3.1 10.4 1.0 CG B:ASP161 3.1 10.3 1.0 CE1 B:HIS27 3.1 12.0 1.0 CD2 B:HIS27 3.1 12.2 1.0 CE1 B:HIS165 3.3 18.1 1.0 OD1 B:ASP161 3.5 11.0 1.0 ND1 B:HIS79 4.0 11.1 1.0 CG B:HIS79 4.1 10.0 1.0 ND1 B:HIS27 4.2 10.1 1.0 CG B:HIS27 4.2 11.6 1.0 CG B:HIS165 4.3 13.0 1.0 CB B:ASP161 4.3 11.5 1.0 ND1 B:HIS165 4.3 15.8 1.0 CH2 B:TRP128 4.3 11.5 1.0 CZ2 B:TRP128 4.4 11.3 1.0 CB B:TRP163 4.5 11.6 1.0 CB B:ALA166 4.7 11.3 1.0 CG B:TRP163 4.7 15.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Hypothetical Fe Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of A Hypothetical Fe Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:9.6 occ:1.00 NE2 C:HIS79 2.0 9.6 1.0 OD2 C:ASP161 2.0 15.0 1.0 NE2 C:HIS165 2.1 11.5 1.0 NE2 C:HIS27 2.1 9.0 1.0 O C:HOH324 2.3 10.1 1.0 CD2 C:HIS79 2.9 9.1 1.0 CE1 C:HIS79 3.0 11.3 1.0 CD2 C:HIS165 3.0 10.9 1.0 CG C:ASP161 3.1 14.7 1.0 CE1 C:HIS165 3.1 14.4 1.0 CE1 C:HIS27 3.1 11.9 1.0 CD2 C:HIS27 3.1 13.3 1.0 OD1 C:ASP161 3.5 10.8 1.0 ND1 C:HIS79 4.1 12.8 1.0 CG C:HIS79 4.1 12.0 1.0 ND1 C:HIS165 4.2 12.7 1.0 CG C:HIS165 4.2 14.9 1.0 ND1 C:HIS27 4.2 13.7 1.0 CG C:HIS27 4.3 12.6 1.0 CH2 C:TRP128 4.3 10.7 1.0 CB C:ASP161 4.4 11.9 1.0 CZ2 C:TRP128 4.4 8.6 1.0 CB C:TRP163 4.5 10.4 1.0 CG C:TRP163 4.7 13.3 1.0 CB C:ALA166 4.7 11.3 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Hypothetical Fe Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of A Hypothetical Fe Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:9.1 occ:1.00 OD2 D:ASP161 2.0 12.8 1.0 NE2 D:HIS79 2.0 12.8 1.0 NE2 D:HIS27 2.1 9.3 1.0 NE2 D:HIS165 2.1 11.3 1.0 O D:HOH345 2.3 11.0 1.0 CD2 D:HIS79 2.9 11.2 1.0 CE1 D:HIS27 3.0 13.0 1.0 CG D:ASP161 3.1 13.6 1.0 CD2 D:HIS165 3.1 9.7 1.0 CE1 D:HIS79 3.1 11.7 1.0 CD2 D:HIS27 3.1 13.0 1.0 CE1 D:HIS165 3.1 13.4 1.0 OD1 D:ASP161 3.5 14.0 1.0 CG D:HIS79 4.1 11.4 1.0 ND1 D:HIS79 4.1 9.9 1.0 ND1 D:HIS27 4.2 12.8 1.0 CG D:HIS27 4.2 13.4 1.0 CG D:HIS165 4.2 14.3 1.0 ND1 D:HIS165 4.2 12.5 1.0 CB D:ASP161 4.3 11.5 1.0 CH2 D:TRP128 4.4 14.5 1.0 CB D:TRP163 4.5 10.5 1.0 CZ2 D:TRP128 4.5 10.9 1.0 CG D:TRP163 4.8 11.2 1.0 CB D:ALA166 4.8 10.5 1.0

A.Ashok, S.Bose, C.Jain, S.S.Purushothaman, R.Subramanian. Crystal Structure of A Hypothetical Fe Superoxide Dismutase To Be Published.