Iron in PDB 3myn: 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: 3myn was solved by E.F.Bowden, V.S.De Serrano, E.L.D'antonio, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.364, 67.496, 68.039, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 29.7

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 3myn). 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: 3myn:
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:16.5 occ:1.00 FE A:HEM139 0.0 16.5 1.0 NC A:HEM139 2.0 16.4 1.0 NE2 A:HIS89 2.0 24.7 0.5 NE2 A:HIS89 2.0 27.3 0.5 NB A:HEM139 2.1 14.5 1.0 ND A:HEM139 2.1 18.4 1.0 NA A:HEM139 2.1 18.0 1.0 C A:CYN188 2.2 14.1 1.0 CE1 A:HIS89 2.9 28.4 0.5 CD2 A:HIS89 2.9 24.1 0.5 C4C A:HEM139 3.0 15.2 1.0 C1D A:HEM139 3.0 19.4 1.0 C1C A:HEM139 3.1 15.0 1.0 C1B A:HEM139 3.1 13.8 1.0 CE1 A:HIS89 3.1 24.7 0.5 C4A A:HEM139 3.1 16.5 1.0 C4B A:HEM139 3.1 13.7 1.0 C4D A:HEM139 3.1 18.6 1.0 CD2 A:HIS89 3.1 26.9 0.5 C1A A:HEM139 3.1 19.5 1.0 N A:CYN188 3.3 19.0 1.0 CHD A:HEM139 3.4 17.4 1.0 CHB A:HEM139 3.4 15.7 1.0 CHC A:HEM139 3.5 12.8 1.0 CHA A:HEM139 3.5 19.4 1.0 ND1 A:HIS89 4.1 27.1 0.5 CG A:HIS89 4.1 25.6 0.5 ND1 A:HIS89 4.2 25.5 0.5 CG A:HIS89 4.2 27.0 0.5 C3C A:HEM139 4.2 16.1 1.0 C2C A:HEM139 4.3 14.7 1.0 C2D A:HEM139 4.3 20.5 1.0 C2B A:HEM139 4.3 12.5 1.0 C3B A:HEM139 4.3 12.1 1.0 C3A A:HEM139 4.3 18.5 1.0 C3D A:HEM139 4.3 19.3 1.0 C2A A:HEM139 4.3 20.4 1.0 CG2 A:VAL59 4.5 12.9 1.0 CE1 A:HIS55 5.0 18.9 1.0 CZ A:PHE35 5.0 18.2 0.4

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:20.1 occ:1.00 FE B:HEM139 0.0 20.1 1.0 NA B:HEM139 2.0 22.1 1.0 NC B:HEM139 2.0 18.3 1.0 ND B:HEM139 2.1 21.0 1.0 NE2 B:HIS89 2.1 27.8 0.4 NE2 B:HIS89 2.1 29.9 0.6 NB B:HEM139 2.1 17.6 1.0 C B:CYN189 2.2 20.4 1.0 CE1 B:HIS89 2.9 28.4 0.4 C1A B:HEM139 3.0 23.7 1.0 C4C B:HEM139 3.0 18.6 1.0 C4D B:HEM139 3.0 23.4 1.0 CE1 B:HIS89 3.0 31.3 0.6 C1D B:HEM139 3.1 22.4 1.0 C1C B:HEM139 3.1 16.8 1.0 C4A B:HEM139 3.1 22.0 1.0 CD2 B:HIS89 3.1 28.0 0.4 C4B B:HEM139 3.1 17.4 1.0 CD2 B:HIS89 3.1 30.0 0.6 C1B B:HEM139 3.1 18.4 1.0 N B:CYN189 3.3 24.5 1.0 CHA B:HEM139 3.4 24.2 1.0 CHD B:HEM139 3.4 19.1 1.0 CHC B:HEM139 3.5 16.2 1.0 CHB B:HEM139 3.5 20.0 1.0 ND1 B:HIS89 4.0 29.1 0.4 CG B:HIS89 4.2 29.4 0.4 ND1 B:HIS89 4.2 31.8 0.6 CG B:HIS89 4.3 30.6 0.6 C3C B:HEM139 4.3 18.9 1.0 C2A B:HEM139 4.3 24.5 1.0 C2C B:HEM139 4.3 16.9 1.0 C3A B:HEM139 4.3 23.3 1.0 C3D B:HEM139 4.3 25.6 1.0 C2D B:HEM139 4.3 23.5 1.0 C3B B:HEM139 4.4 16.4 1.0 C2B B:HEM139 4.4 16.1 1.0 CG2 B:VAL59 4.6 14.5 1.0 CE1 B:HIS55 4.7 18.5 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.