Iron in PDB 7adx: Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form

The structure of Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form, PDB code: 7adx was solved by T.Moreno Chicano, A.Ebrahim, J.W.Worrall, D.A.Axford, S.Owada, T.Tosha, H.Sugimoto, R.W.Strange, R.L.Owen, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.63 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.31, 68.1, 68.33, 90, 90, 90
R / Rfree (%)	16.5 / 19.1

The binding sites of Iron atom in the Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form (pdb code 7adx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form, PDB code: 7adx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:37.2 occ:1.00 FE A:HEM201 0.0 37.2 1.0 ND A:HEM201 1.9 35.7 1.0 NE2 A:HIS89 1.9 40.7 1.0 NA A:HEM201 2.0 38.0 1.0 NC A:HEM201 2.1 36.7 1.0 NB A:HEM201 2.1 33.9 1.0 CE1 A:HIS89 2.9 40.2 1.0 C1D A:HEM201 2.9 36.8 1.0 C4D A:HEM201 2.9 36.0 1.0 C1A A:HEM201 3.0 41.9 1.0 C4A A:HEM201 3.0 38.1 1.0 C4C A:HEM201 3.0 34.9 1.0 CD2 A:HIS89 3.1 40.4 1.0 C1B A:HEM201 3.1 32.6 1.0 C4B A:HEM201 3.1 32.7 1.0 C1C A:HEM201 3.2 34.0 1.0 CHA A:HEM201 3.4 39.3 1.0 CHD A:HEM201 3.4 37.2 1.0 CHB A:HEM201 3.5 35.6 1.0 CHC A:HEM201 3.5 35.3 1.0 ND1 A:HIS89 4.0 37.1 1.0 NE2 A:HIS55 4.1 39.9 1.0 CG A:HIS89 4.1 37.7 1.0 CG2 A:VAL59 4.2 25.6 1.0 C3D A:HEM201 4.2 36.7 1.0 C2D A:HEM201 4.2 37.4 1.0 C3A A:HEM201 4.2 39.3 1.0 C2A A:HEM201 4.2 43.4 1.0 C3C A:HEM201 4.3 37.5 1.0 C2C A:HEM201 4.3 34.7 1.0 C2B A:HEM201 4.4 30.4 1.0 C3B A:HEM201 4.4 30.8 1.0 CE A:MET86 4.7 42.5 1.0 CE1 A:HIS55 4.8 37.0 1.0

Iron binding site 2 out of 2 in the Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:32.1 occ:1.00 FE B:HEM201 0.0 32.1 1.0 ND B:HEM201 1.9 29.7 1.0 NE2 B:HIS89 1.9 35.0 1.0 NA B:HEM201 2.0 28.0 1.0 NC B:HEM201 2.0 30.1 1.0 O2 B:OXY202 2.1 38.4 1.0 NB B:HEM201 2.1 30.3 1.0 CE1 B:HIS89 2.9 38.0 1.0 C4D B:HEM201 2.9 32.6 1.0 C1D B:HEM201 3.0 29.9 1.0 CD2 B:HIS89 3.0 36.7 1.0 C1A B:HEM201 3.0 31.1 1.0 C4C B:HEM201 3.0 29.3 1.0 C4A B:HEM201 3.0 27.0 1.0 O1 B:OXY202 3.0 49.0 1.0 C1C B:HEM201 3.1 28.4 1.0 C1B B:HEM201 3.1 27.1 1.0 C4B B:HEM201 3.1 27.2 1.0 CHD B:HEM201 3.4 29.8 1.0 CHA B:HEM201 3.4 29.8 1.0 CHB B:HEM201 3.4 28.2 1.0 CHC B:HEM201 3.5 30.4 1.0 ND1 B:HIS89 4.0 42.5 1.0 CG B:HIS89 4.1 37.2 1.0 C3D B:HEM201 4.2 34.0 1.0 C2D B:HEM201 4.2 32.7 1.0 C3C B:HEM201 4.2 32.4 1.0 C2C B:HEM201 4.2 31.4 1.0 C3A B:HEM201 4.2 30.1 1.0 C2A B:HEM201 4.2 31.9 1.0 C2B B:HEM201 4.3 25.1 1.0 C3B B:HEM201 4.4 27.2 1.0 CG2 B:VAL59 4.4 21.8 1.0 NE2 B:HIS55 4.9 39.3 1.0 CG1 B:VAL59 4.9 22.0 1.0

T.Moreno Chicano, A.Ebrahim, J.W.Worrall, D.A.Axford, S.Owada, T.Tosha, H.Sugimoto, R.W.Strange, R.L.Owen, M.A.Hough. Sfx Structure of Dehaloperoxidase B From Amphitrite Ornata in the Oxyferrous Form To Be Published.