Iron in PDB 7adf: Sfx Structure of Dehaloperoxidase B in the Ferric Form

The structure of Sfx Structure of Dehaloperoxidase B in the Ferric Form, PDB code: 7adf was solved by T.Moreno Chicano, A.E.Ebrahim, D.A.Axford, D.A.Sherrell, H.Sugimoto, K.Tono, S.Owada, J.W.Worrall, 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)	33.96 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.32, 67.91, 68.54, 90, 90, 90
R / Rfree (%)	17.8 / 21.3

The binding sites of Iron atom in the Sfx Structure of Dehaloperoxidase B in the Ferric Form (pdb code 7adf). 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 Ferric Form, PDB code: 7adf:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Sfx Structure of Dehaloperoxidase B in the Ferric 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 Ferric Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:54.1 occ:1.00 FE A:HEM201 0.0 54.1 1.0 NC A:HEM201 2.0 45.5 1.0 NA A:HEM201 2.0 46.0 1.0 ND A:HEM201 2.0 42.8 1.0 NB A:HEM201 2.1 49.1 1.0 NE2 A:HIS89 2.2 51.8 1.0 C4A A:HEM201 3.0 41.8 1.0 C4C A:HEM201 3.0 46.5 1.0 CE1 A:HIS89 3.0 63.7 1.0 C1D A:HEM201 3.0 50.1 1.0 C1B A:HEM201 3.1 37.4 1.0 C1C A:HEM201 3.1 46.8 1.0 C1A A:HEM201 3.1 46.6 1.0 C4D A:HEM201 3.1 40.1 1.0 C4B A:HEM201 3.1 47.9 1.0 CD2 A:HIS89 3.3 54.8 1.0 CHB A:HEM201 3.4 43.8 1.0 CHD A:HEM201 3.4 44.9 1.0 CHA A:HEM201 3.5 41.2 1.0 CHC A:HEM201 3.5 51.6 1.0 NE2 A:HIS55 4.1 51.6 1.0 CG2 A:VAL59 4.1 37.5 1.0 ND1 A:HIS89 4.2 56.9 1.0 C3A A:HEM201 4.2 48.5 1.0 C3C A:HEM201 4.2 51.9 1.0 C2D A:HEM201 4.3 42.7 1.0 C2C A:HEM201 4.3 49.1 1.0 C2A A:HEM201 4.3 41.9 1.0 C3D A:HEM201 4.3 45.9 1.0 C2B A:HEM201 4.3 47.2 1.0 C3B A:HEM201 4.3 45.9 1.0 CG A:HIS89 4.4 57.9 1.0 CE1 A:HIS55 4.8 47.4 1.0 CE A:MET86 4.9 47.2 1.0

Iron binding site 2 out of 2 in the Sfx Structure of Dehaloperoxidase B in the Ferric 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 Ferric Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:42.0 occ:1.00 FE B:HEM201 0.0 42.0 1.0 NA B:HEM201 2.0 32.9 1.0 NC B:HEM201 2.0 39.5 1.0 NB B:HEM201 2.0 39.2 1.0 ND B:HEM201 2.1 39.2 1.0 NE2 B:HIS89 2.2 36.5 1.0 C4A B:HEM201 3.0 36.5 1.0 C4C B:HEM201 3.0 39.7 1.0 C1A B:HEM201 3.0 39.9 1.0 C1B B:HEM201 3.0 36.3 1.0 C1C B:HEM201 3.0 35.1 1.0 C4B B:HEM201 3.1 32.8 1.0 C1D B:HEM201 3.1 38.5 1.0 CE1 B:HIS89 3.1 48.5 1.0 C4D B:HEM201 3.1 39.9 1.0 CD2 B:HIS89 3.2 44.1 1.0 CHB B:HEM201 3.4 37.8 1.0 CHD B:HEM201 3.4 40.2 1.0 CHC B:HEM201 3.4 42.4 1.0 CHA B:HEM201 3.5 34.0 1.0 C3A B:HEM201 4.2 37.9 1.0 C2A B:HEM201 4.2 35.3 1.0 C3C B:HEM201 4.2 38.0 1.0 C2C B:HEM201 4.3 35.0 1.0 ND1 B:HIS89 4.3 50.3 1.0 C2B B:HEM201 4.3 35.6 1.0 C3B B:HEM201 4.3 36.3 1.0 CG B:HIS89 4.3 49.2 1.0 C2D B:HEM201 4.3 41.7 1.0 C3D B:HEM201 4.4 43.6 1.0 CG2 B:VAL59 4.4 34.9 1.0 CE B:MET86 4.8 46.5 1.0 NE2 B:HIS55 4.9 50.2 1.0

T.Moreno Chicano, L.M.Carey, A.E.Ebrahim, D.A.Axford, J.H.Beale, D.A.Sherrell, H.Sugimoto, K.Tono, S.Owada, J.W.Worrall, R.W.Strange, R.L.Owen, M.A.Hough. Sfx Structure of Dehaloperoxidase B in the Ferric Form To Be Published.