Iron in PDB 6r6o: Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32G/Wt Mutant

The structure of Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32G/Wt Mutant, PDB code: 6r6o was solved by M.Akram, T.Barends, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.85 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.240, 131.450, 45.330, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.6

The structure of Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32G/Wt Mutant also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Iron atom in the Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32G/Wt Mutant (pdb code 6r6o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32G/Wt Mutant, PDB code: 6r6o:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32G/Wt Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32G/Wt Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:29.3 occ:1.00 FE A:HEC200 0.0 29.3 1.0 NA A:HEC200 2.0 30.5 1.0 NB A:HEC200 2.1 25.6 1.0 ND A:HEC200 2.1 28.0 1.0 NC A:HEC200 2.1 19.9 1.0 O A:HOH337 2.2 33.2 1.0 NE2 A:HIS124 2.2 29.6 1.0 C1A A:HEC200 3.0 38.9 1.0 C4D A:HEC200 3.0 33.2 1.0 C4A A:HEC200 3.1 35.9 1.0 C1B A:HEC200 3.1 32.6 1.0 C4B A:HEC200 3.1 28.1 1.0 C1D A:HEC200 3.1 27.8 1.0 C1C A:HEC200 3.1 26.9 1.0 C4C A:HEC200 3.1 25.8 1.0 CD2 A:HIS124 3.1 29.4 1.0 CE1 A:HIS124 3.3 33.7 1.0 CHA A:HEC200 3.4 37.5 1.0 CHB A:HEC200 3.4 31.7 1.0 CHC A:HEC200 3.5 23.8 1.0 CHD A:HEC200 3.5 26.9 1.0 C2A A:HEC200 4.3 38.1 1.0 C3A A:HEC200 4.3 36.1 1.0 C3D A:HEC200 4.3 34.7 1.0 C2B A:HEC200 4.3 28.5 1.0 C3B A:HEC200 4.3 25.4 1.0 CG A:HIS124 4.3 31.7 1.0 C2D A:HEC200 4.3 34.0 1.0 C2C A:HEC200 4.3 25.4 1.0 C3C A:HEC200 4.4 20.7 1.0 ND1 A:HIS124 4.4 30.7 1.0 NE2 A:GLN28 4.4 42.5 1.0 CA A:GLY32 4.6 41.4 1.0 CE A:MET35 4.8 31.3 1.0 O A:HOH320 4.9 41.7 1.0

Iron binding site 2 out of 2 in the Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32G/Wt Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32G/Wt Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:23.2 occ:1.00 FE B:HEC200 0.0 23.2 1.0 NB B:HEC200 2.0 21.5 1.0 NA B:HEC200 2.1 23.4 1.0 ND B:HEC200 2.1 21.1 1.0 NC B:HEC200 2.1 24.8 1.0 NE2 B:HIS58 2.2 28.0 1.0 SG B:CYS101 2.5 24.0 1.0 C1B B:HEC200 3.0 22.6 1.0 CD2 B:HIS58 3.0 27.1 1.0 C4A B:HEC200 3.1 22.6 1.0 C1D B:HEC200 3.1 26.7 1.0 C4B B:HEC200 3.1 27.7 1.0 C4D B:HEC200 3.1 23.1 1.0 C4C B:HEC200 3.1 25.2 1.0 C1A B:HEC200 3.1 22.5 1.0 C1C B:HEC200 3.1 24.1 1.0 CE1 B:HIS58 3.2 23.9 1.0 CHB B:HEC200 3.4 21.4 1.0 CHD B:HEC200 3.4 21.7 1.0 CHC B:HEC200 3.4 27.1 1.0 CB B:CYS101 3.5 22.5 1.0 CHA B:HEC200 3.5 20.8 1.0 CG B:HIS58 4.2 23.9 1.0 CA B:CYS101 4.2 25.1 1.0 C2B B:HEC200 4.3 22.1 1.0 C3B B:HEC200 4.3 19.7 1.0 C3A B:HEC200 4.3 29.1 1.0 ND1 B:HIS58 4.3 22.3 1.0 C2D B:HEC200 4.3 26.7 1.0 C2A B:HEC200 4.3 25.4 1.0 C3D B:HEC200 4.3 22.5 1.0 C3C B:HEC200 4.3 25.1 1.0 C2C B:HEC200 4.4 23.0 1.0 NE2 B:HIS93 4.4 23.6 1.0 O B:HOH373 4.7 34.5 1.0

M.Akram, J.Reimann, A.Dietl, A.Menzel, W.Versantvoort, B.Kartal, M.S.M.Jetten, T.R.M.Barends. A Nitric Oxide-Binding Heterodimeric Cytochromeccomplex From the Anammox Bacteriumkuenenia Stuttgartiensisbinds to Hydrazine Synthase. J.Biol.Chem. V. 294 16712 2019.
ISSN: ESSN 1083-351X
PubMed: 31548310
DOI: 10.1074/JBC.RA119.008788