Iron in PDB 7oua: Crystal Structure of Dimeric Chlorite Dismutase Variant R127K (Ccld R127K) From Cyanothece Sp. PCC7425

The structure of Crystal Structure of Dimeric Chlorite Dismutase Variant R127K (Ccld R127K) From Cyanothece Sp. PCC7425, PDB code: 7oua 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)	44.40 / 2.09
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.712, 49.607, 54.579, 102.48, 104.84, 105
R / Rfree (%)	22.2 / 27

The binding sites of Iron atom in the Crystal Structure of Dimeric Chlorite Dismutase Variant R127K (Ccld R127K) From Cyanothece Sp. PCC7425 (pdb code 7oua). 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 R127K (Ccld R127K) From Cyanothece Sp. PCC7425, PDB code: 7oua:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Dimeric Chlorite Dismutase Variant R127K (Ccld R127K) 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 R127K (Ccld R127K) From Cyanothece Sp. PCC7425 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:54.7 occ:1.00 FE A:HEM601 0.0 54.7 1.0 NE2 A:HIS114 1.9 47.1 1.0 NB A:HEM601 2.0 61.5 1.0 ND A:HEM601 2.0 53.7 1.0 NC A:HEM601 2.0 60.4 1.0 NA A:HEM601 2.1 63.7 1.0 HZ2 A:LYS127 2.2 64.7 1.0 HZ1 A:LYS127 2.2 64.7 1.0 NZ A:LYS127 2.6 53.9 1.0 CE1 A:HIS114 2.6 49.8 1.0 HE1 A:HIS114 2.7 59.8 1.0 C4B A:HEM601 3.0 63.3 1.0 C1C A:HEM601 3.1 58.8 1.0 CD2 A:HIS114 3.1 57.9 1.0 C1B A:HEM601 3.1 60.9 1.0 C4D A:HEM601 3.1 54.6 1.0 C1D A:HEM601 3.1 55.4 1.0 HE3 A:LYS127 3.1 73.7 1.0 C1A A:HEM601 3.1 56.1 1.0 C4C A:HEM601 3.1 60.5 1.0 C4A A:HEM601 3.1 61.5 1.0 HZ3 A:LYS127 3.3 64.7 1.0 CE A:LYS127 3.4 61.4 1.0 CHC A:HEM601 3.4 62.0 1.0 HD2 A:HIS114 3.4 69.6 1.0 CHA A:HEM601 3.4 54.9 1.0 CHB A:HEM601 3.4 62.6 1.0 CHD A:HEM601 3.4 55.2 1.0 ND1 A:HIS114 3.8 51.0 1.0 CG A:HIS114 4.1 53.5 1.0 HD2 A:LYS127 4.1 73.7 1.0 HE2 A:LYS127 4.1 73.7 1.0 HE3 A:MET162 4.2 79.6 1.0 C3B A:HEM601 4.3 67.6 1.0 C2B A:HEM601 4.3 63.4 1.0 C2C A:HEM601 4.3 62.6 1.0 C3D A:HEM601 4.3 56.5 1.0 C2D A:HEM601 4.3 56.1 1.0 C2A A:HEM601 4.3 57.5 1.0 C3A A:HEM601 4.3 61.9 1.0 C3C A:HEM601 4.3 62.4 1.0 CD A:LYS127 4.3 61.4 1.0 HHC A:HEM601 4.4 74.5 1.0 HHA A:HEM601 4.4 65.9 1.0 HHD A:HEM601 4.4 66.2 1.0 HHB A:HEM601 4.4 75.1 1.0 HD1 A:HIS114 4.5 61.3 1.0 HG3 A:LYS127 4.6 72.0 1.0 HE1 A:PHE108 4.7 72.2 1.0 O1 A:MES603 4.7 75.7 1.0 HE1 A:MET162 4.8 79.6 1.0 HZ A:PHE108 4.9 73.2 1.0 HG21 A:THR143 4.9 65.3 1.0 CE A:MET162 4.9 66.3 1.0 HD13 A:LEU129 5.0 67.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Dimeric Chlorite Dismutase Variant R127K (Ccld R127K) 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 R127K (Ccld R127K) From Cyanothece Sp. PCC7425 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:57.7 occ:1.00 FE B:HEM701 0.0 57.7 1.0 NE2 B:HIS114 1.9 55.1 1.0 ND B:HEM701 2.0 54.7 1.0 NC B:HEM701 2.0 60.2 1.0 NA B:HEM701 2.0 57.0 1.0 NB B:HEM701 2.1 57.8 1.0 HZ3 B:LYS127 2.3 79.1 1.0 HE3 B:LYS127 2.4 70.7 1.0 HZ1 B:LYS127 2.5 79.1 1.0 CE1 B:HIS114 2.6 51.8 1.0 NZ B:LYS127 2.6 65.9 1.0 HE1 B:HIS114 2.7 62.2 1.0 CE B:LYS127 2.9 58.9 1.0 C4B B:HEM701 3.0 58.6 1.0 C1C B:HEM701 3.1 55.4 1.0 C1D B:HEM701 3.1 53.6 1.0 C1A B:HEM701 3.1 53.3 1.0 C4D B:HEM701 3.1 49.7 1.0 C1B B:HEM701 3.1 61.8 1.0 C4C B:HEM701 3.1 60.7 1.0 C4A B:HEM701 3.1 57.3 1.0 CD2 B:HIS114 3.1 53.8 1.0 HE2 B:LYS127 3.2 70.7 1.0 CHC B:HEM701 3.4 57.2 1.0 CHA B:HEM701 3.4 50.0 1.0 CHD B:HEM701 3.4 53.5 1.0 CHB B:HEM701 3.4 60.6 1.0 HD2 B:HIS114 3.5 64.7 1.0 HZ2 B:LYS127 3.5 79.1 1.0 ND1 B:HIS114 3.8 52.7 1.0 CG B:HIS114 4.1 54.7 1.0 C3B B:HEM701 4.2 57.8 1.0 C2B B:HEM701 4.3 52.8 1.0 CD B:LYS127 4.3 66.1 1.0 C2D B:HEM701 4.3 46.0 1.0 C2A B:HEM701 4.3 53.2 1.0 C2C B:HEM701 4.3 55.5 1.0 C3D B:HEM701 4.3 50.7 1.0 C3A B:HEM701 4.3 56.8 1.0 C3C B:HEM701 4.3 53.2 1.0 HD2 B:LYS127 4.4 79.3 1.0 HHC B:HEM701 4.4 68.7 1.0 HHA B:HEM701 4.4 60.0 1.0 HHD B:HEM701 4.4 64.2 1.0 HHB B:HEM701 4.4 72.8 1.0 HG3 B:LYS127 4.5 72.5 1.0 HD1 B:HIS114 4.6 63.3 1.0 HE1 B:PHE108 4.7 60.4 1.0 HZ B:PHE108 4.8 56.0 1.0 HD3 B:LYS127 4.9 79.3 1.0 HG22 B:THR143 5.0 64.1 1.0 CG B:LYS127 5.0 60.4 1.0

D.Schmidt, C.Obinger. Impact of the Dynamics of the Catalytic Arginine on Nitrite and Chlorite Binding By Dimeric Chlorite Dismutase J.Inorg.Biochem. 2021.
ISSN: ISSN 0162-0134
DOI: 10.1016/J.JINORGBIO.2021.111689