Iron in PDB 6r6n: Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32M/C101M Mutant

The structure of Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32M/C101M Mutant, PDB code: 6r6n 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)	45.66 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.680, 130.430, 45.660, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.6

The binding sites of Iron atom in the Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32M/C101M Mutant (pdb code 6r6n). 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, C32M/C101M Mutant, PDB code: 6r6n:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32M/C101M 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, C32M/C101M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:35.6 occ:1.00 FE A:HEC200 0.0 35.6 1.0 NA A:HEC200 2.0 32.6 1.0 NB A:HEC200 2.1 34.9 1.0 NC A:HEC200 2.1 31.1 1.0 ND A:HEC200 2.1 35.5 1.0 NE2 A:HIS124 2.2 36.3 1.0 SD A:MET32 2.5 41.7 1.0 C4A A:HEC200 3.0 36.6 1.0 C1A A:HEC200 3.0 39.9 1.0 C1B A:HEC200 3.0 36.9 1.0 C4C A:HEC200 3.1 35.2 1.0 CD2 A:HIS124 3.1 30.0 1.0 C4D A:HEC200 3.1 34.0 1.0 C1D A:HEC200 3.1 28.4 1.0 C1C A:HEC200 3.1 34.4 1.0 C4B A:HEC200 3.1 35.7 1.0 CE1 A:HIS124 3.3 38.8 1.0 CG A:MET32 3.3 38.4 1.0 CHB A:HEC200 3.4 33.5 1.0 CE A:MET32 3.4 42.3 1.0 CHA A:HEC200 3.4 40.1 1.0 CHD A:HEC200 3.4 30.9 1.0 CHC A:HEC200 3.5 38.1 1.0 C3A A:HEC200 4.2 33.5 1.0 C2A A:HEC200 4.2 43.7 1.0 CG A:HIS124 4.3 32.5 1.0 C2B A:HEC200 4.3 37.2 1.0 C2C A:HEC200 4.3 34.3 1.0 C3C A:HEC200 4.3 36.1 1.0 CB A:MET32 4.3 41.8 1.0 C3B A:HEC200 4.3 30.6 1.0 C3D A:HEC200 4.3 39.0 1.0 ND1 A:HIS124 4.3 33.3 1.0 C2D A:HEC200 4.3 41.8 1.0

Iron binding site 2 out of 2 in the Recombinantly Produced KUSTA0087/KUSTA0088 Complex, C32M/C101M 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, C32M/C101M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:26.2 occ:1.00 FE B:HEC200 0.0 26.2 1.0 NB B:HEC200 1.9 21.6 1.0 ND B:HEC200 2.0 28.7 1.0 NC B:HEC200 2.1 19.9 1.0 NA B:HEC200 2.1 19.8 1.0 NE2 B:HIS58 2.2 25.3 1.0 SD B:MET101 2.5 24.6 1.0 C4D B:HEC200 3.0 29.2 1.0 C4B B:HEC200 3.0 28.2 1.0 C1B B:HEC200 3.0 22.8 1.0 C1D B:HEC200 3.0 30.1 1.0 C1C B:HEC200 3.1 21.4 1.0 CD2 B:HIS58 3.1 23.9 1.0 C1A B:HEC200 3.1 20.7 1.0 C4C B:HEC200 3.1 21.7 1.0 C4A B:HEC200 3.1 20.6 1.0 CE1 B:HIS58 3.3 25.6 1.0 CHA B:HEC200 3.4 28.5 1.0 CHC B:HEC200 3.4 24.6 1.0 CHD B:HEC200 3.4 25.8 1.0 CHB B:HEC200 3.5 21.3 1.0 CE B:MET101 3.6 23.6 1.0 CG B:MET101 3.7 28.5 1.0 CB B:MET101 4.0 29.8 1.0 C3D B:HEC200 4.2 27.2 1.0 C2B B:HEC200 4.2 21.9 1.0 C3B B:HEC200 4.2 27.1 1.0 C2D B:HEC200 4.2 31.5 1.0 CG B:HIS58 4.3 26.1 1.0 C2C B:HEC200 4.3 26.4 1.0 C3C B:HEC200 4.3 24.7 1.0 C2A B:HEC200 4.3 21.6 1.0 ND1 B:HIS58 4.3 26.4 1.0 C3A B:HEC200 4.3 23.4 1.0 CA B:MET101 4.6 25.9 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