Iron in PDB 6uuq: Structure of Calcineurin Bound to RCAN1

All present enzymatic activity of Structure of Calcineurin Bound to RCAN1:
3.1.3.16;

The structure of Structure of Calcineurin Bound to RCAN1, PDB code: 6uuq was solved by S.Sheftic, R.Page, W.Peti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.01 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.841, 71.159, 92.049, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.5

The structure of Structure of Calcineurin Bound to RCAN1 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the Structure of Calcineurin Bound to RCAN1 (pdb code 6uuq). 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 Structure of Calcineurin Bound to RCAN1, PDB code: 6uuq:

Iron binding site 1 out of 1 in the Structure of Calcineurin Bound to RCAN1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Calcineurin Bound to RCAN1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:13.8 occ:1.00 OD1 A:ASN150 2.1 12.2 1.0 O2 A:PO4401 2.1 13.7 0.9 O A:HOH571 2.1 18.1 1.0 NE2 A:HIS199 2.2 8.9 1.0 ND1 A:HIS281 2.2 13.0 1.0 OD2 A:ASP118 2.3 13.5 1.0 CE1 A:HIS281 2.9 11.6 1.0 CG A:ASN150 3.1 14.7 1.0 CD2 A:HIS199 3.1 10.6 1.0 CE1 A:HIS199 3.2 13.8 1.0 CG A:ASP118 3.2 12.9 1.0 ZN A:ZN403 3.3 20.2 0.9 P A:PO4401 3.3 17.4 0.9 CG A:HIS281 3.4 14.6 1.0 OD1 A:ASP118 3.5 13.9 1.0 ND2 A:ASN150 3.5 13.6 1.0 O1 A:PO4401 3.6 18.1 0.9 CA A:HIS281 3.8 11.0 1.0 CB A:HIS281 3.9 12.4 1.0 O4 A:PO4401 4.0 18.9 0.9 OD2 A:ASP90 4.1 16.6 1.0 O A:HIS281 4.1 15.3 1.0 NE2 A:HIS281 4.1 14.2 1.0 ND1 A:HIS199 4.3 10.6 1.0 CG A:HIS199 4.3 10.2 1.0 CD2 A:HIS281 4.4 12.2 1.0 CD2 A:HIS151 4.4 14.3 1.0 CB A:ASP118 4.5 14.0 1.0 C A:HIS281 4.5 12.8 1.0 CB A:ASN150 4.5 12.6 1.0 N A:ASN150 4.5 12.3 1.0 O3 A:PO4401 4.5 19.2 0.9 N A:HIS281 4.8 10.9 1.0 O A:LEU231 4.9 14.0 1.0 O2 A:PO4402 4.9 21.7 0.8 NH1 A:ARG254 4.9 14.7 1.0 CG A:ASP90 4.9 15.5 1.0

Y.Li, S.R.Sheftic, S.Grigoriu, C.D.Schwieters, R.Page, W.Peti. The Structure of the RCAN1:Cn Complex Explains the Inhibition of and Substrate Recruitment By Calcineurin. Sci Adv V. 6 2020.
ISSN: ESSN 2375-2548
PubMed: 32936779
DOI: 10.1126/SCIADV.ABA3681