Iron in PDB 7ati: Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425

The structure of Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425, PDB code: 7ati was solved by D.Schmidt, G.Mlynek, K.Djinovic-Carugo, C.Obinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.34 / 1.51
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.014, 72.676, 60.169, 90, 112.73, 90
R / Rfree (%)	17.5 / 19.3

The binding sites of Iron atom in the Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 (pdb code 7ati). 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 Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425, PDB code: 7ati:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425


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 Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:19.2 occ:1.00 FE A:HEM202 0.0 19.2 1.0 NA A:HEM202 2.0 20.3 1.0 NC A:HEM202 2.0 18.8 1.0 NB A:HEM202 2.1 19.6 1.0 ND A:HEM202 2.1 19.2 1.0 NE2 A:HIS114 2.1 21.2 1.0 O A:HOH437 2.5 19.6 1.0 CE1 A:HIS114 3.0 22.6 1.0 C4A A:HEM202 3.0 21.8 1.0 C1D A:HEM202 3.0 20.0 1.0 C4C A:HEM202 3.0 20.6 1.0 C1B A:HEM202 3.1 22.8 1.0 C4D A:HEM202 3.1 20.7 1.0 HE1 A:HIS114 3.1 27.1 1.0 C1A A:HEM202 3.1 21.6 1.0 C4B A:HEM202 3.1 21.6 1.0 C1C A:HEM202 3.1 20.8 1.0 CD2 A:HIS114 3.2 21.3 1.0 CHD A:HEM202 3.4 19.9 1.0 CHA A:HEM202 3.4 20.7 1.0 CHB A:HEM202 3.4 22.6 1.0 CHC A:HEM202 3.5 21.1 1.0 HD2 A:HIS114 3.5 25.5 1.0 HE1 A:MET162 3.6 28.3 1.0 HH21 A:ARG127 3.7 32.7 1.0 HE A:ARG127 3.8 34.0 1.0 ND1 A:HIS114 4.2 23.0 1.0 C3A A:HEM202 4.3 24.1 1.0 C3B A:HEM202 4.3 22.0 1.0 C2C A:HEM202 4.3 19.1 1.0 HZ A:PHE145 4.3 24.7 1.0 C3D A:HEM202 4.3 19.5 1.0 C2A A:HEM202 4.3 22.1 1.0 C2B A:HEM202 4.3 22.2 1.0 C2D A:HEM202 4.3 19.3 1.0 C3C A:HEM202 4.3 20.7 1.0 CG A:HIS114 4.3 22.5 1.0 NH2 A:ARG127 4.4 27.2 1.0 HHD A:HEM202 4.4 23.9 1.0 HHA A:HEM202 4.4 24.8 1.0 HHB A:HEM202 4.4 27.1 1.0 NE A:ARG127 4.4 28.4 1.0 HHC A:HEM202 4.5 25.3 1.0 CE A:MET162 4.5 23.6 1.0 HE1 A:PHE145 4.6 26.7 1.0 HE3 A:MET162 4.8 28.3 1.0 HZ A:PHE108 4.8 27.6 1.0 CZ A:ARG127 4.8 28.4 1.0 HE1 A:PHE108 4.8 28.1 1.0 HD1 A:HIS114 4.9 27.6 1.0 HH22 A:ARG127 4.9 32.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425


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 Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:23.2 occ:1.00 FE B:HEM202 0.0 23.2 1.0 NB B:HEM202 2.0 21.0 1.0 NA B:HEM202 2.0 23.4 1.0 NC B:HEM202 2.1 21.3 1.0 ND B:HEM202 2.1 21.6 1.0 NE2 B:HIS114 2.2 24.6 1.0 O B:HOH328 2.5 24.8 1.0 C1B B:HEM202 3.0 23.9 1.0 C4A B:HEM202 3.0 25.6 1.0 C4C B:HEM202 3.1 22.0 1.0 C1D B:HEM202 3.1 21.8 1.0 C1C B:HEM202 3.1 23.5 1.0 CE1 B:HIS114 3.1 26.7 1.0 C4B B:HEM202 3.1 23.3 1.0 C4D B:HEM202 3.1 23.4 1.0 C1A B:HEM202 3.1 24.6 1.0 CD2 B:HIS114 3.2 26.6 1.0 HE1 B:HIS114 3.2 32.1 1.0 CHB B:HEM202 3.4 24.9 1.0 HD2 B:HIS114 3.4 31.9 1.0 CHA B:HEM202 3.4 21.8 1.0 CHD B:HEM202 3.4 22.5 1.0 CHC B:HEM202 3.5 22.0 1.0 HE B:ARG127 3.8 44.8 1.0 HH11 B:ARG127 3.9 38.1 1.0 HE1 B:MET162 4.0 33.0 0.5 ND1 B:HIS114 4.2 26.9 1.0 C3B B:HEM202 4.2 21.9 1.0 C2B B:HEM202 4.3 23.2 1.0 C3A B:HEM202 4.3 26.0 1.0 C2A B:HEM202 4.3 25.6 1.0 NE B:ARG127 4.3 37.3 1.0 C2C B:HEM202 4.3 22.1 1.0 C3C B:HEM202 4.3 23.7 1.0 C3D B:HEM202 4.3 21.3 1.0 C2D B:HEM202 4.3 22.8 1.0 CG B:HIS114 4.3 25.6 1.0 HE2 B:MET162 4.4 33.0 0.5 HHB B:HEM202 4.4 29.9 1.0 HE3 B:MET162 4.4 33.0 0.6 HHD B:HEM202 4.4 27.1 1.0 NH1 B:ARG127 4.4 31.8 1.0 HHA B:HEM202 4.4 26.2 1.0 HZ B:PHE145 4.5 29.3 1.0 HHC B:HEM202 4.5 26.4 1.0 CE B:MET162 4.6 27.5 0.5 HE1 B:PHE145 4.7 28.9 1.0 CZ B:ARG127 4.7 44.6 1.0 HE1 B:MET162 4.8 33.0 0.6 HZ B:PHE108 4.8 28.8 1.0 HD2 B:ARG127 4.8 39.1 1.0 HE1 B:PHE108 4.8 29.4 1.0 HH12 B:ARG127 5.0 38.1 1.0

D.Schmidt, G.Mlynek, K.Djinovic-Carugo, C.Obinger. Arresting the Catalytic Arginine in Chlorite Dismutases - Impact on Heme Coordination, Thermal Stability and Catalysis Biochemistry 2021.
ISSN: ISSN 0006-2960
DOI: 10.1021/ACS.BIOCHEM.0C00910