Iron in PDB 3mym: Mutation of Methionine-86 in Dehaloperoxidase-Hemoglobin: Effects of the Asp-His-Fe Triad in A 3/3 Globin

The structure of Mutation of Methionine-86 in Dehaloperoxidase-Hemoglobin: Effects of the Asp-His-Fe Triad in A 3/3 Globin, PDB code: 3mym was solved by V.S.De Serrano, E.L.D'antonio, S.Franzen, E.F.Bowden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.86 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.560, 67.423, 67.960, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 24.1

The binding sites of Iron atom in the Mutation of Methionine-86 in Dehaloperoxidase-Hemoglobin: Effects of the Asp-His-Fe Triad in A 3/3 Globin (pdb code 3mym). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Mutation of Methionine-86 in Dehaloperoxidase-Hemoglobin: Effects of the Asp-His-Fe Triad in A 3/3 Globin, PDB code: 3mym:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Mutation of Methionine-86 in Dehaloperoxidase-Hemoglobin: Effects of the Asp-His-Fe Triad in A 3/3 Globin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mutation of Methionine-86 in Dehaloperoxidase-Hemoglobin: Effects of the Asp-His-Fe Triad in A 3/3 Globin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe139 b:16.3 occ:1.00 FE A:HEM139 0.0 16.3 1.0 NB A:HEM139 2.0 15.5 1.0 ND A:HEM139 2.0 17.4 1.0 NC A:HEM139 2.1 15.2 1.0 NA A:HEM139 2.1 18.4 1.0 NE2 A:HIS89 2.1 15.1 1.0 C A:CYN188 2.2 15.1 1.0 CE1 A:HIS89 3.0 15.5 1.0 C1D A:HEM139 3.0 17.2 1.0 C4C A:HEM139 3.1 14.7 1.0 C4D A:HEM139 3.1 19.6 1.0 C1B A:HEM139 3.1 15.5 1.0 C4B A:HEM139 3.1 15.7 1.0 C1C A:HEM139 3.1 14.4 1.0 C1A A:HEM139 3.1 20.4 1.0 C4A A:HEM139 3.1 18.2 1.0 CD2 A:HIS89 3.1 16.5 1.0 N A:CYN188 3.3 17.2 1.0 CHD A:HEM139 3.4 17.2 1.0 CHA A:HEM139 3.4 20.9 1.0 CHC A:HEM139 3.4 14.7 1.0 CHB A:HEM139 3.4 16.1 1.0 ND1 A:HIS89 4.1 15.2 1.0 CG A:HIS89 4.2 19.5 1.0 C2B A:HEM139 4.3 15.3 1.0 C2D A:HEM139 4.3 20.2 1.0 C3D A:HEM139 4.3 21.4 1.0 C3B A:HEM139 4.3 15.1 1.0 C3C A:HEM139 4.3 14.6 1.0 C2C A:HEM139 4.3 14.4 1.0 C3A A:HEM139 4.3 21.0 1.0 C2A A:HEM139 4.3 22.0 1.0 CG2 A:VAL59 4.7 13.9 1.0

Iron binding site 2 out of 2 in the Mutation of Methionine-86 in Dehaloperoxidase-Hemoglobin: Effects of the Asp-His-Fe Triad in A 3/3 Globin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mutation of Methionine-86 in Dehaloperoxidase-Hemoglobin: Effects of the Asp-His-Fe Triad in A 3/3 Globin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe139 b:15.7 occ:1.00 FE B:HEM139 0.0 15.7 1.0 NC B:HEM139 2.0 15.8 1.0 NB B:HEM139 2.1 16.1 1.0 NE2 B:HIS89 2.1 11.2 1.0 NA B:HEM139 2.1 18.3 1.0 ND B:HEM139 2.1 18.7 1.0 C B:CYN189 2.2 14.0 1.0 C1C B:HEM139 3.0 14.6 1.0 CE1 B:HIS89 3.0 13.2 1.0 C4B B:HEM139 3.0 15.0 1.0 C4C B:HEM139 3.1 16.4 1.0 C4A B:HEM139 3.1 19.4 1.0 C1A B:HEM139 3.1 21.4 1.0 C4D B:HEM139 3.1 21.2 1.0 C1B B:HEM139 3.1 16.8 1.0 CD2 B:HIS89 3.1 14.2 1.0 C1D B:HEM139 3.1 18.9 1.0 N B:CYN189 3.3 16.8 1.0 CHC B:HEM139 3.3 13.0 1.0 CHA B:HEM139 3.4 20.4 1.0 CHD B:HEM139 3.5 18.6 1.0 CHB B:HEM139 3.5 17.7 1.0 ND1 B:HIS89 4.1 13.1 1.0 C2C B:HEM139 4.2 15.1 1.0 CG B:HIS89 4.2 14.9 1.0 C3C B:HEM139 4.3 16.4 1.0 C3B B:HEM139 4.3 13.2 1.0 C3A B:HEM139 4.3 22.0 1.0 C2B B:HEM139 4.3 16.8 1.0 C2A B:HEM139 4.3 23.2 1.0 C3D B:HEM139 4.3 21.9 1.0 C2D B:HEM139 4.4 21.5 1.0 CG2 B:VAL59 4.7 11.1 1.0 CE1 B:HIS55 4.7 15.7 1.0

E.L.D'antonio, J.D'antonio, H.Grazs, V.S.De Serrano, M.K.Thompson, R.A.Ghiladi, S.Franzen, E.F.Bowden. Mutation of Methionine-86 in Dehaloperoxidase-Hemoglobin: Effects of the Asp-His-Fe Triad in A 3/3 Globin To Be Published.