Iron in PDB 7pr4: Cocrystal Form II of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster

The structure of Cocrystal Form II of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster, PDB code: 7pr4 was solved by R.J.Flood, K.Ramberg, F.Guagnini, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.45 / 1.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.624, 36.106, 82.898, 90, 90, 90
R / Rfree (%)	18.7 / 22.5

The structure of Cocrystal Form II of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Iron atom in the Cocrystal Form II of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster (pdb code 7pr4). 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 Cocrystal Form II of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster, PDB code: 7pr4:

Iron binding site 1 out of 1 in the Cocrystal Form II of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cocrystal Form II of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.6 occ:1.00 FE A:HEC201 0.0 7.6 1.0 NB A:HEC201 2.0 7.8 1.0 NA A:HEC201 2.0 8.1 1.0 NC A:HEC201 2.0 8.7 1.0 ND A:HEC201 2.0 7.7 1.0 NE2 A:HIS18 2.1 7.5 1.0 SD A:MET80 2.3 8.4 1.0 C1B A:HEC201 3.0 8.4 1.0 CE1 A:HIS18 3.0 7.3 1.0 C4A A:HEC201 3.0 7.8 1.0 C4B A:HEC201 3.0 8.2 1.0 C4C A:HEC201 3.1 8.1 1.0 C1D A:HEC201 3.1 7.7 1.0 C4D A:HEC201 3.1 8.0 1.0 C1A A:HEC201 3.1 8.0 1.0 CD2 A:HIS18 3.1 7.4 1.0 C1C A:HEC201 3.1 8.5 1.0 CHB A:HEC201 3.4 7.7 1.0 CE A:MET80 3.4 8.8 1.0 CG A:MET80 3.4 8.9 1.0 CHD A:HEC201 3.4 7.7 1.0 CHA A:HEC201 3.4 7.8 1.0 CHC A:HEC201 3.5 8.1 1.0 ND1 A:HIS18 4.1 7.4 1.0 CG A:HIS18 4.2 7.2 1.0 C2B A:HEC201 4.2 9.5 1.0 CB A:MET80 4.2 9.4 1.0 C3B A:HEC201 4.2 8.9 1.0 C3A A:HEC201 4.3 8.2 1.0 C2A A:HEC201 4.3 8.2 1.0 C2C A:HEC201 4.3 8.8 1.0 C3C A:HEC201 4.3 8.3 1.0 C2D A:HEC201 4.3 8.3 1.0 C3D A:HEC201 4.3 8.5 1.0 OH A:TYR67 4.8 11.9 1.0

R.J.Flood, K.O.Ramberg, D.B.Mengel, F.Guagnini, P.B.Crowley. Protein Frameworks with Thiacalixarene and Zinc. Cryst.Growth Des. V. 22 3271 2022.
ISSN: ISSN 1528-7483
PubMed: 35529063
DOI: 10.1021/ACS.CGD.2C00108