Iron in PDB 8r2v: Crystal Structure of Hydroxyquinol-1,2-Dioxygenase From Gelatoporia Subvermispora (GSHDX1)

The structure of Crystal Structure of Hydroxyquinol-1,2-Dioxygenase From Gelatoporia Subvermispora (GSHDX1), PDB code: 8r2v was solved by M.Zahn, E.Kuatsjah, D.Salvachua, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	108.19 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.433, 148.662, 157.746, 90, 90, 90
R / Rfree (%)	17.3 / 19.7

The binding sites of Iron atom in the Crystal Structure of Hydroxyquinol-1,2-Dioxygenase From Gelatoporia Subvermispora (GSHDX1) (pdb code 8r2v). 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 Hydroxyquinol-1,2-Dioxygenase From Gelatoporia Subvermispora (GSHDX1), PDB code: 8r2v:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Hydroxyquinol-1,2-Dioxygenase From Gelatoporia Subvermispora (GSHDX1)


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 Hydroxyquinol-1,2-Dioxygenase From Gelatoporia Subvermispora (GSHDX1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe407 b:23.5 occ:1.00 OH A:TYR177 1.9 21.9 1.0 OH A:TYR211 2.1 21.3 1.0 NE2 A:HIS235 2.1 20.9 1.0 O A:HOH645 2.1 30.7 1.0 NE2 A:HIS237 2.2 19.5 1.0 CZ A:TYR177 3.0 22.6 1.0 CE1 A:HIS235 3.1 23.5 1.0 CE1 A:HIS237 3.1 21.5 1.0 CZ A:TYR211 3.1 22.8 1.0 CD2 A:HIS235 3.1 22.5 1.0 CD2 A:HIS237 3.2 20.5 1.0 CE2 A:TYR211 3.5 23.0 1.0 CE1 A:TYR177 3.6 24.1 1.0 O A:HOH624 3.8 35.1 1.0 NH1 A:ARG232 4.0 22.8 1.0 CE2 A:TYR177 4.0 22.9 1.0 O A:HOH581 4.1 20.4 1.0 O A:HOH569 4.1 24.9 1.0 ND1 A:HIS235 4.3 20.4 1.0 CG A:HIS235 4.3 20.2 1.0 ND1 A:HIS237 4.3 18.9 1.0 CE1 A:TYR211 4.3 24.0 1.0 CG A:HIS237 4.4 20.3 1.0 CD2 A:PHE124 4.7 36.6 1.0 CD1 A:TYR177 4.9 27.0 1.0 CD2 A:TYR211 4.9 22.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Hydroxyquinol-1,2-Dioxygenase From Gelatoporia Subvermispora (GSHDX1)


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 Hydroxyquinol-1,2-Dioxygenase From Gelatoporia Subvermispora (GSHDX1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe406 b:22.8 occ:1.00 OH B:TYR177 1.9 22.0 1.0 OH B:TYR211 2.1 19.5 1.0 O B:HOH659 2.1 24.2 1.0 NE2 B:HIS237 2.1 18.9 1.0 NE2 B:HIS235 2.2 20.2 1.0 CZ B:TYR177 3.0 20.2 1.0 CE1 B:HIS237 3.1 20.9 1.0 CE1 B:HIS235 3.1 22.7 1.0 CZ B:TYR211 3.1 20.5 1.0 CD2 B:HIS235 3.2 20.0 1.0 CD2 B:HIS237 3.2 20.8 1.0 CE2 B:TYR211 3.5 19.2 1.0 CE1 B:TYR177 3.6 21.8 1.0 O B:HOH574 3.8 33.6 1.0 CE2 B:TYR177 4.0 19.7 1.0 NH1 B:ARG232 4.1 23.0 1.0 O B:HOH594 4.1 19.9 1.0 O B:HOH579 4.2 22.8 1.0 ND1 B:HIS237 4.3 18.5 1.0 ND1 B:HIS235 4.3 19.2 1.0 CG B:HIS235 4.3 18.9 1.0 CG B:HIS237 4.3 20.2 1.0 CE1 B:TYR211 4.3 22.1 1.0 CD2 B:PHE124 4.7 35.0 1.0 CD2 B:TYR211 4.9 20.7 1.0 CD1 B:TYR177 4.9 23.2 1.0

A.Schwartz, E.Kuatsjah, M.Zahn, D.Salvachua. Biochemical and Structural Characterization Hydroquinone Catabolic Pathway From White-Rot Fungi To Be Published.