Iron in PDB 8drf: Zn(II)-Bound B2 Dimer (H60/H100/H104)

The structure of Zn(II)-Bound B2 Dimer (H60/H100/H104), PDB code: 8drf 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)	38.92 / 1.70
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.5, 52.12, 58.51, 90, 90, 90
R / Rfree (%)	21.2 / 24.2

The structure of Zn(II)-Bound B2 Dimer (H60/H100/H104) also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Iron atom in the Zn(II)-Bound B2 Dimer (H60/H100/H104) (pdb code 8drf). 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 Zn(II)-Bound B2 Dimer (H60/H100/H104), PDB code: 8drf:

Iron binding site 1 out of 1 in the Zn(II)-Bound B2 Dimer (H60/H100/H104)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Zn(II)-Bound B2 Dimer (H60/H100/H104) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:15.9 occ:1.00 FE A:HEC201 0.0 15.9 1.0 ND A:HEC201 2.0 15.9 1.0 NA A:HEC201 2.0 15.4 1.0 NC A:HEC201 2.1 15.0 1.0 NB A:HEC201 2.1 14.5 1.0 NE2 A:HIS102 2.2 14.8 1.0 SD A:MET7 2.4 10.7 1.0 C1C A:HEC201 3.0 14.7 1.0 C4A A:HEC201 3.0 15.2 1.0 CD2 A:HIS102 3.0 17.4 1.0 C4D A:HEC201 3.0 16.6 1.0 C1A A:HEC201 3.1 16.1 1.0 C1D A:HEC201 3.1 15.9 1.0 C1B A:HEC201 3.1 14.4 1.0 C4B A:HEC201 3.1 14.4 1.0 C4C A:HEC201 3.1 15.2 1.0 CE1 A:HIS102 3.2 18.3 1.0 CE A:MET7 3.4 17.9 1.0 CHA A:HEC201 3.4 16.8 1.0 CHB A:HEC201 3.4 14.7 1.0 CHC A:HEC201 3.5 14.4 1.0 CHD A:HEC201 3.5 15.5 1.0 CG A:MET7 3.5 12.4 1.0 CB A:MET7 4.2 9.5 1.0 CG A:HIS102 4.2 15.6 1.0 C3A A:HEC201 4.3 15.4 1.0 C2C A:HEC201 4.3 14.9 1.0 C3D A:HEC201 4.3 17.1 1.0 C2A A:HEC201 4.3 15.9 1.0 C2D A:HEC201 4.3 16.6 1.0 ND1 A:HIS102 4.3 17.7 1.0 C2B A:HEC201 4.3 14.3 1.0 C3C A:HEC201 4.3 15.0 1.0 C3B A:HEC201 4.3 14.2 1.0 CA A:MET7 4.9 13.6 1.0

T.S.Choi, F.A.Tezcan. Design of A Flexible, Zn-Selective Protein Scaffold That Displays Anti-Irving-Williams Behavior. J.Am.Chem.Soc. V. 144 18090 2022.
ISSN: ESSN 1520-5126
PubMed: 36154053
DOI: 10.1021/JACS.2C08050