Iron in PDB 7mk4: Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2

The structure of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, PDB code: 7mk4 was solved by T.S.Choi, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.42 / 1.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.529, 61.075, 64.572, 90, 90, 90
R / Rfree (%)	19.6 / 21.4

The structure of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Iron atom in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 (pdb code 7mk4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, PDB code: 7mk4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:14.9 occ:1.00 FE A:HEC201 0.0 14.9 1.0 ND A:HEC201 2.0 16.0 1.0 NA A:HEC201 2.0 14.4 1.0 NB A:HEC201 2.0 15.2 1.0 NC A:HEC201 2.1 14.9 1.0 NE2 A:HIS102 2.1 15.4 1.0 SD A:MET7 2.4 14.1 1.0 CE1 A:HIS102 3.0 15.2 1.0 C4D A:HEC201 3.0 17.0 1.0 C1A A:HEC201 3.0 16.5 1.0 C1D A:HEC201 3.1 15.0 1.0 C4A A:HEC201 3.1 14.6 1.0 C4B A:HEC201 3.1 13.4 1.0 C1B A:HEC201 3.1 13.1 1.0 C1C A:HEC201 3.1 15.0 1.0 C4C A:HEC201 3.1 13.9 1.0 CD2 A:HIS102 3.1 14.0 1.0 CE A:MET7 3.4 18.6 1.0 CHA A:HEC201 3.4 15.0 1.0 CHC A:HEC201 3.4 12.8 1.0 CHD A:HEC201 3.4 15.8 1.0 CHB A:HEC201 3.5 14.6 1.0 CG A:MET7 3.5 14.4 1.0 ND1 A:HIS102 4.2 15.2 1.0 CB A:MET7 4.2 14.8 1.0 CG A:HIS102 4.3 13.6 1.0 C3D A:HEC201 4.3 17.3 1.0 C2A A:HEC201 4.3 15.0 1.0 C2D A:HEC201 4.3 17.0 1.0 C3A A:HEC201 4.3 15.0 1.0 C2B A:HEC201 4.3 14.9 1.0 C3B A:HEC201 4.3 15.3 1.0 C2C A:HEC201 4.3 13.7 1.0 C3C A:HEC201 4.3 14.1 1.0

Iron binding site 2 out of 2 in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:12.1 occ:1.00 FE B:HEC201 0.0 12.1 1.0 ND B:HEC201 2.0 11.3 1.0 NA B:HEC201 2.0 12.6 1.0 NC B:HEC201 2.0 11.6 1.0 NB B:HEC201 2.0 11.8 1.0 NE2 B:HIS102 2.1 12.3 1.0 SD B:MET7 2.3 11.8 1.0 CE1 B:HIS102 3.0 12.1 1.0 C4D B:HEC201 3.0 12.3 1.0 C1D B:HEC201 3.0 11.8 1.0 C4A B:HEC201 3.0 12.0 1.0 C1B B:HEC201 3.0 11.0 1.0 C1A B:HEC201 3.0 12.0 1.0 C1C B:HEC201 3.1 10.9 1.0 C4C B:HEC201 3.1 10.9 1.0 C4B B:HEC201 3.1 11.4 1.0 CD2 B:HIS102 3.1 11.6 1.0 CE B:MET7 3.4 11.7 1.0 CHD B:HEC201 3.4 11.5 1.0 CHB B:HEC201 3.4 11.4 1.0 CG B:MET7 3.4 12.7 1.0 CHA B:HEC201 3.4 12.1 1.0 CHC B:HEC201 3.4 11.6 1.0 ND1 B:HIS102 4.1 12.2 1.0 CG B:HIS102 4.2 13.2 1.0 CB B:MET7 4.2 12.6 1.0 C2D B:HEC201 4.2 13.0 1.0 C2B B:HEC201 4.2 10.7 1.0 C3D B:HEC201 4.3 12.9 1.0 C2A B:HEC201 4.3 13.3 1.0 C3B B:HEC201 4.3 11.0 1.0 C3A B:HEC201 4.3 12.7 1.0 C2C B:HEC201 4.3 10.7 1.0 C3C B:HEC201 4.3 12.0 1.0 CA B:MET7 5.0 12.2 1.0

T.S.Choi, F.A.Tezcan. Overcoming Universal Restrictions on Metal Selectivity By Protein Design. Nature V. 603 522 2022.
ISSN: ESSN 1476-4687
PubMed: 35236987
DOI: 10.1038/S41586-022-04469-8