Iron in PDB 6dy6: Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E

The structure of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E, PDB code: 6dy6 was solved by F.A.Tezcan, J.Rittle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.63 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.720, 49.000, 117.530, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26

The structure of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Iron atom in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E (pdb code 6dy6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E, PDB code: 6dy6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:17.4 occ:1.00 FE A:HEC203 0.0 17.4 1.0 NE2 A:HIS102 1.9 17.6 1.0 ND A:HEC203 2.0 21.6 1.0 NB A:HEC203 2.0 15.1 1.0 NA A:HEC203 2.0 22.7 1.0 NC A:HEC203 2.1 16.8 1.0 SD A:MET7 2.4 17.8 1.0 CE1 A:HIS102 2.9 17.6 1.0 CD2 A:HIS102 3.0 17.1 1.0 C1D A:HEC203 3.0 18.7 1.0 C4D A:HEC203 3.0 20.6 1.0 C1B A:HEC203 3.0 18.9 1.0 C1A A:HEC203 3.0 20.3 1.0 C4A A:HEC203 3.0 21.5 1.0 C4B A:HEC203 3.1 16.2 1.0 C4C A:HEC203 3.1 17.5 1.0 C1C A:HEC203 3.1 16.5 1.0 CHD A:HEC203 3.4 17.2 1.0 CHB A:HEC203 3.4 18.8 1.0 CHA A:HEC203 3.4 22.6 1.0 CG A:MET7 3.4 19.9 1.0 CE A:MET7 3.5 16.4 1.0 CHC A:HEC203 3.5 16.6 1.0 ND1 A:HIS102 4.0 20.8 1.0 CG A:HIS102 4.1 13.6 1.0 C2D A:HEC203 4.2 17.6 1.0 CB A:MET7 4.2 21.6 1.0 C3D A:HEC203 4.2 14.0 1.0 C2A A:HEC203 4.3 18.4 1.0 C3A A:HEC203 4.3 21.2 1.0 C2B A:HEC203 4.3 15.2 1.0 C3B A:HEC203 4.3 12.6 1.0 C2C A:HEC203 4.3 13.6 1.0 C3C A:HEC203 4.3 13.2 1.0

Iron binding site 2 out of 2 in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:21.8 occ:1.00 FE B:HEC201 0.0 21.8 1.0 NE2 B:HIS102 2.0 18.7 1.0 NA B:HEC201 2.0 25.4 1.0 NC B:HEC201 2.0 19.1 1.0 NB B:HEC201 2.1 19.0 1.0 ND B:HEC201 2.1 15.7 1.0 SD B:MET7 2.2 23.9 1.0 CD2 B:HIS102 2.9 16.4 1.0 C1A B:HEC201 3.0 30.1 1.0 C4D B:HEC201 3.0 21.3 1.0 C4B B:HEC201 3.0 18.4 1.0 C1C B:HEC201 3.0 24.9 1.0 CE1 B:HIS102 3.0 23.3 1.0 C4A B:HEC201 3.1 28.4 1.0 C1B B:HEC201 3.1 21.8 1.0 C4C B:HEC201 3.1 20.4 1.0 C1D B:HEC201 3.1 23.6 1.0 CHA B:HEC201 3.3 28.8 1.0 CE B:MET7 3.4 20.7 1.0 CHC B:HEC201 3.4 21.8 1.0 CHB B:HEC201 3.5 24.7 1.0 CG B:MET7 3.5 28.6 1.0 CHD B:HEC201 3.5 20.6 1.0 CG B:HIS102 4.1 20.7 1.0 ND1 B:HIS102 4.1 22.1 1.0 C2A B:HEC201 4.2 31.9 1.0 CB B:MET7 4.3 28.1 1.0 C3B B:HEC201 4.3 19.0 1.0 C2C B:HEC201 4.3 19.9 1.0 C3D B:HEC201 4.3 22.4 1.0 C3A B:HEC201 4.3 34.9 1.0 C2B B:HEC201 4.3 27.1 1.0 C3C B:HEC201 4.3 21.2 1.0 C2D B:HEC201 4.3 23.3 1.0

J.Rittle, M.J.Field, M.T.Green, F.A.Tezcan. An Efficient, Step-Economical Strategy For the Design of Functional Metalloproteins. Nat.Chem. V. 11 434 2019.
ISSN: ESSN 1755-4349
PubMed: 30778140
DOI: 10.1038/S41557-019-0218-9