Iron in PDB 3fop: A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Hexagonal Form

The structure of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Hexagonal Form, PDB code: 3fop was solved by F.A.Tezcan, R.J.Radford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.91 / 3.00
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.897, 104.897, 107.925, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 27.7

The structure of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Hexagonal Form also contains other interesting chemical elements:

Nickel

(Ni)

4 atoms

The binding sites of Iron atom in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Hexagonal Form (pdb code 3fop). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Hexagonal Form, PDB code: 3fop:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Hexagonal Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Hexagonal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe150 b:42.2 occ:1.00 FE A:HEM150 0.0 42.2 1.0 NE2 A:HIS102 2.0 40.4 1.0 ND A:HEM150 2.0 42.5 1.0 NC A:HEM150 2.0 42.8 1.0 NB A:HEM150 2.0 43.6 1.0 NA A:HEM150 2.1 44.0 1.0 SD A:MET7 2.3 42.1 1.0 CE1 A:HIS102 2.8 40.1 1.0 C4D A:HEM150 3.0 44.0 1.0 C1A A:HEM150 3.0 45.7 1.0 C1D A:HEM150 3.0 42.6 1.0 C1C A:HEM150 3.0 43.4 1.0 C4B A:HEM150 3.1 43.5 1.0 C4C A:HEM150 3.1 42.9 1.0 C1B A:HEM150 3.1 45.4 1.0 CD2 A:HIS102 3.1 41.2 1.0 C4A A:HEM150 3.2 45.0 1.0 CHA A:HEM150 3.3 45.0 1.0 CE A:MET7 3.4 43.9 1.0 CHC A:HEM150 3.4 43.6 1.0 CHD A:HEM150 3.4 43.4 1.0 CHB A:HEM150 3.5 45.0 1.0 CG A:MET7 3.6 45.5 1.0 ND1 A:HIS102 4.0 41.0 1.0 CG A:HIS102 4.2 41.3 1.0 C3D A:HEM150 4.2 44.1 1.0 CB A:MET7 4.2 46.1 1.0 C2D A:HEM150 4.3 43.2 1.0 C2C A:HEM150 4.3 43.1 1.0 C3C A:HEM150 4.3 43.5 1.0 C3B A:HEM150 4.3 44.2 1.0 C2B A:HEM150 4.3 45.3 1.0 C2A A:HEM150 4.3 46.5 1.0 C3A A:HEM150 4.3 45.9 1.0

Iron binding site 2 out of 2 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Hexagonal Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Hexagonal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe150 b:44.0 occ:1.00 FE B:HEM150 0.0 44.0 1.0 NB B:HEM150 2.0 45.3 1.0 NE2 B:HIS102 2.0 40.5 1.0 NA B:HEM150 2.0 45.3 1.0 NC B:HEM150 2.0 45.4 1.0 ND B:HEM150 2.1 45.0 1.0 SD B:MET7 2.3 45.2 1.0 CE1 B:HIS102 2.9 39.9 1.0 C1B B:HEM150 3.0 45.9 1.0 C4B B:HEM150 3.0 45.5 1.0 C4A B:HEM150 3.0 46.4 1.0 C1A B:HEM150 3.1 46.8 1.0 C1C B:HEM150 3.1 46.1 1.0 C4C B:HEM150 3.1 45.5 1.0 CD2 B:HIS102 3.1 40.5 1.0 C4D B:HEM150 3.1 46.2 1.0 C1D B:HEM150 3.1 45.2 1.0 CHB B:HEM150 3.3 46.3 1.0 CE B:MET7 3.4 45.5 1.0 CHC B:HEM150 3.4 45.9 1.0 CHA B:HEM150 3.4 46.4 1.0 CHD B:HEM150 3.5 46.0 1.0 CG B:MET7 3.6 46.6 1.0 ND1 B:HIS102 4.0 40.5 1.0 CG B:HIS102 4.2 41.1 1.0 C2B B:HEM150 4.2 46.3 1.0 C3B B:HEM150 4.2 45.3 1.0 C3A B:HEM150 4.3 47.3 1.0 C2A B:HEM150 4.3 48.0 1.0 C2C B:HEM150 4.3 45.9 1.0 C3C B:HEM150 4.3 45.4 1.0 CB B:MET7 4.3 46.6 1.0 C3D B:HEM150 4.4 46.6 1.0 C2D B:HEM150 4.4 45.5 1.0

R.J.Radford, F.A.Tezcan. A Superprotein Triangle Driven By Nickel(II) Coordination: Exploiting Non-Natural Metal Ligands in Protein Self-Assembly. J.Am.Chem.Soc. V. 131 9136 2009.
ISSN: ISSN 0002-7863
PubMed: 19527025
DOI: 10.1021/JA9000695