Iron in PDB 4u9e: Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3

The structure of Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3, PDB code: 4u9e was solved by F.A.Tezcan, W.J.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.66 / 2.80
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	71.313, 92.213, 98.599, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 28.5

The structure of Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3 also contains other interesting chemical elements:

Calcium	(Ca)	5 atoms
Zinc	(Zn)	2 atoms

The binding sites of Iron atom in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3 (pdb code 4u9e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3, PDB code: 4u9e:

Iron binding site 1 out of 1 in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, A104/57G AB3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:55.4 occ:1.00 FE A:HEM201 0.0 55.4 1.0 ND A:HEM201 1.9 57.2 1.0 NA A:HEM201 2.0 57.1 1.0 NC A:HEM201 2.1 55.2 1.0 NB A:HEM201 2.1 54.8 1.0 NE2 A:HIS102 2.6 53.9 1.0 SD A:MET7 2.6 53.2 1.0 C4D A:HEM201 2.9 58.1 1.0 C1D A:HEM201 2.9 56.8 1.0 C1A A:HEM201 3.0 57.8 1.0 C4A A:HEM201 3.0 57.2 1.0 C4C A:HEM201 3.1 54.9 1.0 C4B A:HEM201 3.1 53.4 1.0 C1B A:HEM201 3.1 54.3 1.0 C1C A:HEM201 3.1 54.5 1.0 CHA A:HEM201 3.4 57.5 1.0 CHD A:HEM201 3.4 55.9 1.0 CE A:MET7 3.4 53.2 1.0 CD2 A:HIS102 3.4 54.5 1.0 CHB A:HEM201 3.5 55.6 1.0 CHC A:HEM201 3.5 53.0 1.0 CE1 A:HIS102 3.6 54.4 1.0 CG A:MET7 3.7 54.3 1.0 C3D A:HEM201 4.2 59.3 1.0 C2D A:HEM201 4.2 57.8 1.0 C2A A:HEM201 4.2 59.1 1.0 C3A A:HEM201 4.2 58.1 1.0 C3C A:HEM201 4.3 54.3 1.0 C2C A:HEM201 4.3 54.1 1.0 C2B A:HEM201 4.3 53.6 1.0 C3B A:HEM201 4.4 53.3 1.0 CB A:MET7 4.4 55.3 1.0 CG A:HIS102 4.7 55.0 1.0 ND1 A:HIS102 4.7 54.5 1.0

W.J.Song, A.F.Tezcan. A Designed Supramolecular Protein Assembly with in Vivo Enzymatic Activity Science V. 346 1525 2014.
ISSN: ISSN 0036-8075
PubMed: 25525249
DOI: 10.1126/SCIENCE.1259680