Iron in PDB 3ocd: Diheme Soxax - C236M Mutant

The structure of Diheme Soxax - C236M Mutant, PDB code: 3ocd was solved by M.J.Maher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.18 / 2.25
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.496, 66.031, 85.887, 112.59, 94.33, 90.02
R / Rfree (%)	22.1 / 25.7

The binding sites of Iron atom in the Diheme Soxax - C236M Mutant (pdb code 3ocd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Diheme Soxax - C236M Mutant, PDB code: 3ocd:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Diheme Soxax - C236M Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Diheme Soxax - C236M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:27.9 occ:1.00 FE A:HEC401 0.0 27.9 1.0 NA A:HEC401 2.0 28.7 1.0 NC A:HEC401 2.1 27.3 1.0 NB A:HEC401 2.1 26.6 1.0 ND A:HEC401 2.1 28.3 1.0 NE2 A:HIS187 2.4 30.1 1.0 SD A:MET236 2.5 22.8 1.0 C1A A:HEC401 3.0 29.8 1.0 C4A A:HEC401 3.0 27.9 1.0 C4C A:HEC401 3.1 27.6 1.0 C1B A:HEC401 3.1 26.0 1.0 C1C A:HEC401 3.1 27.2 1.0 C4B A:HEC401 3.1 26.8 1.0 C4D A:HEC401 3.1 29.9 1.0 C1D A:HEC401 3.1 28.2 1.0 CE1 A:HIS187 3.4 29.7 1.0 CHB A:HEC401 3.4 26.6 1.0 CHA A:HEC401 3.4 30.3 1.0 CHD A:HEC401 3.4 28.2 1.0 CHC A:HEC401 3.4 26.8 1.0 CD2 A:HIS187 3.5 30.0 1.0 CG A:MET236 3.7 22.9 1.0 CE A:MET236 4.0 22.2 1.0 C2A A:HEC401 4.2 29.9 1.0 C3A A:HEC401 4.3 28.2 1.0 C2B A:HEC401 4.3 25.9 1.0 C3B A:HEC401 4.3 27.2 1.0 C3C A:HEC401 4.3 27.5 1.0 C2C A:HEC401 4.3 27.4 1.0 C2D A:HEC401 4.3 29.5 1.0 C3D A:HEC401 4.3 30.5 1.0 ND1 A:HIS187 4.5 28.6 1.0 CG A:HIS187 4.6 28.5 1.0 CB A:MET236 4.7 23.9 1.0 NH1 A:ARG232 4.7 27.3 1.0

Iron binding site 2 out of 4 in the Diheme Soxax - C236M Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Diheme Soxax - C236M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:23.5 occ:1.00 FE B:HEC401 0.0 23.5 1.0 NC B:HEC401 2.0 23.5 1.0 NA B:HEC401 2.1 23.4 1.0 ND B:HEC401 2.1 24.3 1.0 NB B:HEC401 2.1 25.4 1.0 NE2 B:HIS129 2.1 30.6 1.0 SD B:MET178 2.4 25.8 1.0 C4C B:HEC401 3.0 25.2 1.0 CE1 B:HIS129 3.0 30.2 1.0 C1C B:HEC401 3.0 23.9 1.0 C1D B:HEC401 3.1 23.1 1.0 C1A B:HEC401 3.1 23.0 1.0 C4A B:HEC401 3.1 23.0 1.0 C4B B:HEC401 3.1 24.6 1.0 C4D B:HEC401 3.1 22.1 1.0 C1B B:HEC401 3.1 24.7 1.0 CD2 B:HIS129 3.2 29.1 1.0 CG B:MET178 3.3 25.0 1.0 CHD B:HEC401 3.4 24.8 1.0 CHC B:HEC401 3.4 25.6 1.0 CHA B:HEC401 3.5 22.8 1.0 CHB B:HEC401 3.5 24.2 1.0 CB B:MET178 3.7 24.1 1.0 CE B:MET178 4.0 20.4 1.0 ND1 B:HIS129 4.2 29.5 1.0 C3C B:HEC401 4.2 26.7 1.0 C2C B:HEC401 4.2 26.1 1.0 CG B:HIS129 4.3 29.7 1.0 C3A B:HEC401 4.3 22.6 1.0 C2A B:HEC401 4.3 22.2 1.0 C2D B:HEC401 4.3 22.7 1.0 C3B B:HEC401 4.4 25.1 1.0 C2B B:HEC401 4.4 25.2 1.0 C3D B:HEC401 4.4 22.8 1.0 CA B:MET178 4.7 23.8 1.0

Iron binding site 3 out of 4 in the Diheme Soxax - C236M Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Diheme Soxax - C236M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:34.6 occ:1.00 FE C:HEC401 0.0 34.6 1.0 NA C:HEC401 2.0 34.0 1.0 NC C:HEC401 2.1 32.7 1.0 NE2 C:HIS187 2.1 25.0 1.0 ND C:HEC401 2.1 33.7 1.0 NB C:HEC401 2.1 34.0 1.0 SD C:MET236 2.9 26.9 1.0 CD2 C:HIS187 3.0 25.6 1.0 C4A C:HEC401 3.0 34.3 1.0 C1A C:HEC401 3.0 34.9 1.0 CE1 C:HIS187 3.1 24.8 1.0 C4C C:HEC401 3.1 32.1 1.0 C1B C:HEC401 3.1 34.4 1.0 C1C C:HEC401 3.1 32.6 1.0 C1D C:HEC401 3.1 33.5 1.0 C4B C:HEC401 3.1 33.7 1.0 C4D C:HEC401 3.1 34.3 1.0 CHB C:HEC401 3.4 33.8 1.0 CHA C:HEC401 3.4 33.9 1.0 CHD C:HEC401 3.4 32.9 1.0 CHC C:HEC401 3.5 32.3 1.0 CG C:MET236 3.6 27.9 1.0 ND1 C:HIS187 4.1 24.8 1.0 CG C:HIS187 4.2 25.5 1.0 C2B C:HEC401 4.3 35.1 1.0 C2A C:HEC401 4.3 34.9 1.0 C3A C:HEC401 4.3 33.9 1.0 C3B C:HEC401 4.3 34.9 1.0 C3C C:HEC401 4.3 31.7 1.0 C2C C:HEC401 4.3 31.2 1.0 C2D C:HEC401 4.3 33.8 1.0 C3D C:HEC401 4.4 34.0 1.0 CB C:MET236 4.4 28.8 1.0 NH1 C:ARG232 4.6 33.8 1.0 CE C:MET236 4.7 25.5 1.0

Iron binding site 4 out of 4 in the Diheme Soxax - C236M Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Diheme Soxax - C236M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe401 b:32.4 occ:1.00 FE D:HEC401 0.0 32.4 1.0 NC D:HEC401 2.0 34.5 1.0 NE2 D:HIS129 2.1 31.4 1.0 NA D:HEC401 2.1 34.0 1.0 ND D:HEC401 2.1 33.3 1.0 NB D:HEC401 2.1 33.9 1.0 SD D:MET178 2.6 27.6 1.0 CE1 D:HIS129 2.9 32.2 1.0 C4D D:HEC401 3.0 31.7 1.0 C1C D:HEC401 3.0 34.5 1.0 C1A D:HEC401 3.0 33.1 1.0 C4B D:HEC401 3.0 33.5 1.0 C4C D:HEC401 3.1 34.0 1.0 C1B D:HEC401 3.1 33.2 1.0 C1D D:HEC401 3.1 32.1 1.0 CD2 D:HIS129 3.1 32.8 1.0 C4A D:HEC401 3.1 34.0 1.0 CHA D:HEC401 3.3 33.3 1.0 CHC D:HEC401 3.4 34.2 1.0 CHD D:HEC401 3.4 33.4 1.0 CHB D:HEC401 3.5 34.0 1.0 CE D:MET178 3.6 26.6 1.0 CG D:MET178 3.7 27.9 1.0 ND1 D:HIS129 4.0 32.2 1.0 CG D:HIS129 4.1 33.5 1.0 C3B D:HEC401 4.2 33.0 1.0 C2B D:HEC401 4.2 33.0 1.0 C3D D:HEC401 4.3 31.8 1.0 C2C D:HEC401 4.3 34.5 1.0 CB D:MET178 4.3 27.8 1.0 C3C D:HEC401 4.3 34.4 1.0 C2A D:HEC401 4.3 34.0 1.0 C2D D:HEC401 4.3 32.0 1.0 C3A D:HEC401 4.3 34.5 1.0

J.Kilmartin, M.J.Maher, K.Krusong, G.R.Hanson, P.V.Bernhardt, M.Riley, U.Kappler. Diheme Soxax Proteins - Insights Into Structure and Function of the Active Site To Be Published.