Iron in PDB 7sjc: Crystal Structure of Dehaloperoxidase B in Complex with Gamma- Terpinene

The structure of Crystal Structure of Dehaloperoxidase B in Complex with Gamma- Terpinene, PDB code: 7sjc was solved by T.Malewschik, D.Yun, V.S.De Serrano, R.A.Ghiladi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.81 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.817, 67.606, 67.62, 90, 90, 90
R / Rfree (%)	19.9 / 24.5

The binding sites of Iron atom in the Crystal Structure of Dehaloperoxidase B in Complex with Gamma- Terpinene (pdb code 7sjc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Dehaloperoxidase B in Complex with Gamma- Terpinene, PDB code: 7sjc:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Dehaloperoxidase B in Complex with Gamma- Terpinene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Dehaloperoxidase B in Complex with Gamma- Terpinene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:35.5 occ:1.00 FE A:HEM201 0.0 35.5 1.0 ND A:HEM201 1.9 32.5 1.0 NA A:HEM201 1.9 30.1 1.0 NC A:HEM201 2.1 31.9 1.0 NB A:HEM201 2.1 29.1 1.0 NE2 A:HIS89 2.3 37.1 1.0 C4D A:HEM201 2.9 31.1 1.0 C1D A:HEM201 2.9 33.7 1.0 C1A A:HEM201 3.0 31.0 1.0 C4A A:HEM201 3.0 29.0 1.0 C4C A:HEM201 3.0 35.2 1.0 C1C A:HEM201 3.1 31.4 1.0 C1B A:HEM201 3.1 27.7 1.0 C4B A:HEM201 3.1 27.6 1.0 CE1 A:HIS89 3.3 37.0 1.0 CD2 A:HIS89 3.3 36.7 1.0 CHA A:HEM201 3.4 31.4 1.0 CHD A:HEM201 3.4 36.4 1.0 CHB A:HEM201 3.4 29.6 1.0 CHC A:HEM201 3.5 32.3 1.0 C9 A:9NI204 4.0 54.0 0.9 CG2 A:VAL59 4.1 29.4 1.0 C2A A:HEM201 4.1 30.6 1.0 C3A A:HEM201 4.2 28.0 1.0 C2D A:HEM201 4.2 35.1 1.0 C3D A:HEM201 4.2 33.0 1.0 C3C A:HEM201 4.2 32.9 1.0 C2C A:HEM201 4.3 32.8 1.0 C2B A:HEM201 4.4 28.8 1.0 ND1 A:HIS89 4.4 34.7 1.0 C3B A:HEM201 4.4 30.0 1.0 CG A:HIS89 4.4 36.6 1.0 CG1 A:VAL59 4.8 26.5 1.0 C5 A:9NI204 4.9 66.1 0.9 CE A:MET86 5.0 38.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Dehaloperoxidase B in Complex with Gamma- Terpinene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Dehaloperoxidase B in Complex with Gamma- Terpinene within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:38.9 occ:1.00 FE B:HEM201 0.0 38.9 1.0 ND B:HEM201 1.9 35.3 1.0 NA B:HEM201 2.0 34.1 1.0 NC B:HEM201 2.1 36.2 1.0 NB B:HEM201 2.1 38.9 1.0 NE2 B:HIS89 2.2 41.0 1.0 C1D B:HEM201 2.9 35.9 1.0 C4D B:HEM201 2.9 37.5 1.0 C1A B:HEM201 3.0 35.9 1.0 C4A B:HEM201 3.0 35.0 1.0 C4C B:HEM201 3.0 45.0 1.0 C1B B:HEM201 3.1 37.3 1.0 C4B B:HEM201 3.1 38.2 1.0 C1C B:HEM201 3.1 41.4 1.0 CE1 B:HIS89 3.2 42.7 1.0 CD2 B:HIS89 3.3 41.9 1.0 CHD B:HEM201 3.4 42.2 1.0 CHB B:HEM201 3.4 37.2 1.0 CHA B:HEM201 3.5 28.8 1.0 CHC B:HEM201 3.5 40.6 1.0 CG2 B:VAL59 4.0 27.5 1.0 C2D B:HEM201 4.2 41.5 1.0 C2A B:HEM201 4.2 35.5 1.0 C3A B:HEM201 4.2 35.5 1.0 C3D B:HEM201 4.2 40.1 1.0 C5 B:9NI203 4.3 64.6 0.7 C3C B:HEM201 4.3 45.9 1.0 C2C B:HEM201 4.3 42.4 1.0 ND1 B:HIS89 4.3 38.8 1.0 C2B B:HEM201 4.3 38.2 1.0 C3B B:HEM201 4.4 40.1 1.0 CG B:HIS89 4.4 44.5 1.0 C9 B:9NI203 4.4 64.9 0.7 CE B:MET86 4.5 47.6 1.0 CG1 B:VAL59 4.8 24.7 1.0 C6 B:9NI203 4.9 64.0 0.7 CE1 B:HIS55 5.0 33.5 0.3 CB B:VAL59 5.0 24.1 1.0

T.Malewschick, D.Yun, V.De Serrano, R.A.Ghiladi. The Multifunctional Globin Dehaloperoxidase As A Biocatalyst in the Oxidation of Monoterpenes To Be Published.