Iron in PDB 7acp: Serial Synchrotron Structure of Dehaloperoxidase B

The structure of Serial Synchrotron Structure of Dehaloperoxidase B, PDB code: 7acp was solved by T.Moreno Chicano, A.E.Ebrahim, D.A.Axford, D.A.Sherrell, 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)	34.47 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.18, 66.995, 68.932, 90, 90, 90
R / Rfree (%)	16.7 / 20.9

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

Iron binding site 1 out of 2 in the Serial Synchrotron Structure of Dehaloperoxidase B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Serial Synchrotron Structure of Dehaloperoxidase B within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:45.5 occ:1.00 FE A:HEM201 0.0 45.5 1.0 NC A:HEM201 2.0 45.9 1.0 ND A:HEM201 2.0 44.0 1.0 NA A:HEM201 2.1 47.4 1.0 NB A:HEM201 2.1 46.5 1.0 NE2 A:HIS89 2.3 44.9 1.0 C4C A:HEM201 3.1 46.5 1.0 C1D A:HEM201 3.1 46.0 1.0 C1C A:HEM201 3.1 47.1 1.0 C4D A:HEM201 3.1 47.0 1.0 C4A A:HEM201 3.1 48.2 1.0 C1A A:HEM201 3.1 49.1 1.0 C1B A:HEM201 3.1 46.4 1.0 C4B A:HEM201 3.1 47.8 1.0 CD2 A:HIS89 3.2 44.2 1.0 NE2 A:HIS55 3.3 38.9 1.0 CE1 A:HIS89 3.3 45.8 1.0 CHD A:HEM201 3.4 45.4 1.0 CHC A:HEM201 3.4 47.7 1.0 CHA A:HEM201 3.4 47.2 1.0 CHB A:HEM201 3.4 46.8 1.0 CG2 A:VAL59 4.0 23.6 1.0 CE1 A:HIS55 4.2 39.1 1.0 CD2 A:HIS55 4.2 37.5 1.0 C2D A:HEM201 4.3 48.2 1.0 C3C A:HEM201 4.3 48.3 1.0 C2C A:HEM201 4.3 47.9 1.0 C3D A:HEM201 4.3 51.3 1.0 C3A A:HEM201 4.3 51.6 1.0 C2A A:HEM201 4.3 52.7 1.0 C2B A:HEM201 4.3 47.6 1.0 C3B A:HEM201 4.3 49.2 1.0 CG A:HIS89 4.4 45.0 1.0 ND1 A:HIS89 4.4 45.0 1.0 CE A:MET86 4.8 41.0 1.0

Iron binding site 2 out of 2 in the Serial Synchrotron Structure of Dehaloperoxidase B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Serial Synchrotron Structure of Dehaloperoxidase B within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:20.6 occ:1.00 FE B:HEM201 0.0 20.6 1.0 ND B:HEM201 2.0 21.7 1.0 NA B:HEM201 2.0 20.0 1.0 NC B:HEM201 2.0 18.4 1.0 NB B:HEM201 2.1 16.9 1.0 NE2 B:HIS89 2.1 21.2 1.0 O B:HOH367 2.6 26.4 1.0 C4C B:HEM201 3.1 19.9 1.0 C1D B:HEM201 3.1 22.4 1.0 C1A B:HEM201 3.1 21.9 1.0 C4D B:HEM201 3.1 21.7 1.0 C4A B:HEM201 3.1 20.9 1.0 C1C B:HEM201 3.1 18.6 1.0 C1B B:HEM201 3.1 17.0 1.0 C4B B:HEM201 3.1 16.9 1.0 CD2 B:HIS89 3.1 21.2 1.0 CE1 B:HIS89 3.1 20.1 1.0 CHD B:HEM201 3.4 21.7 1.0 CHA B:HEM201 3.4 21.9 1.0 CHB B:HEM201 3.4 17.6 1.0 CHC B:HEM201 3.4 17.4 1.0 ND1 B:HIS89 4.2 20.9 1.0 CG B:HIS89 4.2 21.5 1.0 C3C B:HEM201 4.3 20.2 1.0 C2D B:HEM201 4.3 25.3 1.0 C2C B:HEM201 4.3 19.3 1.0 C3D B:HEM201 4.3 27.0 1.0 C2A B:HEM201 4.3 24.3 1.0 C3A B:HEM201 4.3 22.4 1.0 C2B B:HEM201 4.3 16.0 1.0 C3B B:HEM201 4.3 15.6 1.0 CG2 B:VAL59 4.5 19.0 1.0 CE B:MET86 5.0 29.7 1.0 CG1 B:VAL59 5.0 17.4 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.