Iron in PDB 3oj1: Structure of the H55D Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata

The structure of Structure of the H55D Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata, PDB code: 3oj1 was solved by J.Zhao, V.S.De Serrano, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.955, 67.917, 67.905, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 25.5

The binding sites of Iron atom in the Structure of the H55D Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata (pdb code 3oj1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the H55D Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata, PDB code: 3oj1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the H55D Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the H55D Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe139 b:6.8 occ:1.00 FE A:HEM139 0.0 6.8 1.0 NB A:HEM139 2.0 7.5 1.0 NC A:HEM139 2.1 7.5 1.0 NA A:HEM139 2.1 7.9 1.0 ND A:HEM139 2.1 6.8 1.0 NE2 A:HIS89 2.1 5.4 1.0 CE1 A:HIS89 3.0 5.4 1.0 C1B A:HEM139 3.1 7.5 1.0 C4B A:HEM139 3.1 7.0 1.0 C1D A:HEM139 3.1 6.5 1.0 C4C A:HEM139 3.1 7.0 1.0 C4A A:HEM139 3.1 7.7 1.0 C1C A:HEM139 3.1 7.1 1.0 C1A A:HEM139 3.1 8.5 1.0 C4D A:HEM139 3.1 7.2 1.0 CD2 A:HIS89 3.2 6.0 1.0 CHB A:HEM139 3.4 7.7 1.0 CHD A:HEM139 3.4 6.9 1.0 CHC A:HEM139 3.4 6.8 1.0 CHA A:HEM139 3.5 7.1 1.0 CG2 A:VAL59 3.7 5.8 1.0 ND1 A:HIS89 4.2 5.5 1.0 CG A:HIS89 4.3 6.1 1.0 C2B A:HEM139 4.3 6.9 1.0 C3B A:HEM139 4.3 6.9 1.0 C2C A:HEM139 4.3 6.8 1.0 C3C A:HEM139 4.3 7.1 1.0 C2D A:HEM139 4.3 6.7 1.0 C3A A:HEM139 4.3 8.1 1.0 C2A A:HEM139 4.3 9.1 1.0 C3D A:HEM139 4.3 7.3 1.0 SD A:MET86 4.7 9.9 1.0 CB A:VAL59 4.9 5.9 1.0

Iron binding site 2 out of 2 in the Structure of the H55D Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the H55D Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe139 b:2.0 occ:1.00 FE B:HEM139 0.0 2.0 1.0 NB B:HEM139 2.1 3.4 1.0 NC B:HEM139 2.1 3.4 1.0 ND B:HEM139 2.1 3.9 1.0 NA B:HEM139 2.1 4.7 1.0 NE2 B:HIS89 2.1 3.9 1.0 C1A B:HEM139 3.1 5.4 1.0 C4B B:HEM139 3.1 2.5 1.0 C1C B:HEM139 3.1 2.9 1.0 C4D B:HEM139 3.1 4.6 1.0 C4A B:HEM139 3.1 4.5 1.0 CE1 B:HIS89 3.1 4.1 1.0 C1B B:HEM139 3.1 2.1 1.0 C4C B:HEM139 3.1 3.1 1.0 C1D B:HEM139 3.1 3.4 1.0 CD2 B:HIS89 3.2 5.5 1.0 CHA B:HEM139 3.4 4.9 1.0 CHC B:HEM139 3.4 2.6 1.0 CHB B:HEM139 3.5 3.4 1.0 CHD B:HEM139 3.5 2.5 1.0 CG2 B:VAL59 4.1 4.4 1.0 ND1 B:HIS89 4.2 4.5 1.0 C3A B:HEM139 4.3 4.9 1.0 C2A B:HEM139 4.3 6.7 1.0 CG B:HIS89 4.3 5.6 1.0 C3B B:HEM139 4.3 2.1 1.0 C2B B:HEM139 4.3 2.0 1.0 C2C B:HEM139 4.3 2.8 1.0 C3C B:HEM139 4.3 2.7 1.0 C3D B:HEM139 4.3 4.5 1.0 C2D B:HEM139 4.3 4.3 1.0 CG1 B:VAL59 4.9 4.5 1.0

J.Zhao, V.S.De Serrano, S.Franzen. Effect of the H55D Mutation on the Kinetics and Structure of Dehaloperoxidase-Hemoglobin A To Be Published.