Iron in PDB 1aui: Human Calcineurin Heterodimer

All present enzymatic activity of Human Calcineurin Heterodimer:
3.1.3.16;

The structure of Human Calcineurin Heterodimer, PDB code: 1aui was solved by C.R.Kissinger, H.E.Parge, D.R.Knighton, L.A.Pelletier, C.T.Lewis, A.Tempczyk, J.E.Villafranca, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.810, 104.340, 177.770, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / n/a

The structure of Human Calcineurin Heterodimer also contains other interesting chemical elements:

Calcium	(Ca)	4 atoms
Zinc	(Zn)	1 atom

The binding sites of Iron atom in the Human Calcineurin Heterodimer (pdb code 1aui). 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 Human Calcineurin Heterodimer, PDB code: 1aui:

Iron binding site 1 out of 1 in the Human Calcineurin Heterodimer


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Calcineurin Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe523 b:37.3 occ:1.00 OD2 A:ASP118 2.3 22.1 1.0 OD2 A:ASP90 2.3 29.2 1.0 NE2 A:HIS92 2.4 18.7 1.0 O A:HOH627 2.5 37.9 1.0 O A:HOH778 2.7 57.4 1.0 O A:HOH796 2.8 60.5 1.0 ZN A:ZN522 3.1 63.8 1.0 CG A:ASP90 3.2 30.3 1.0 CE1 A:HIS92 3.3 18.9 1.0 CD2 A:HIS92 3.4 12.3 1.0 CG A:ASP118 3.4 18.0 1.0 O A:HIS281 3.9 33.6 1.0 CB A:ASP90 3.9 32.1 1.0 CB A:ASP118 4.0 15.6 1.0 OD1 A:ASP90 4.0 22.8 1.0 CA A:HIS281 4.3 30.9 1.0 CD2 A:HIS151 4.4 26.9 1.0 C A:HIS281 4.4 25.5 1.0 OD1 A:ASP118 4.4 20.9 1.0 ND1 A:HIS92 4.4 21.9 1.0 NE2 A:HIS151 4.5 19.7 1.0 NE2 A:HIS199 4.5 35.8 1.0 CG A:HIS92 4.5 32.7 1.0 CE1 A:PHE306 4.6 26.9 1.0 OD1 A:ASN150 4.6 28.1 1.0 OE1 A:GLU481 4.6 54.5 1.0 O A:HOH697 4.6 45.5 1.0 CE1 A:HIS199 4.6 22.1 1.0 OH A:TYR311 4.8 52.9 1.0 ND1 A:HIS281 4.9 32.9 1.0 OE2 A:GLU481 4.9 66.5 1.0 N A:HIS281 4.9 24.9 1.0

C.R.Kissinger, H.E.Parge, D.R.Knighton, C.T.Lewis, L.A.Pelletier, A.Tempczyk, V.J.Kalish, K.D.Tucker, R.E.Showalter, E.W.Moomaw, L.N.Gastinel, N.Habuka, X.Chen, F.Maldonado, J.E.Barker, R.Bacquet, J.E.Villafranca. Crystal Structures of Human Calcineurin and the Human FKBP12-FK506-Calcineurin Complex. Nature V. 378 641 1995.
ISSN: ISSN 0028-0836
PubMed: 8524402
DOI: 10.1038/378641A0