Iron in PDB 4orc: Crytal Structure of Mammalian Calcineurin

All present enzymatic activity of Crytal Structure of Mammalian Calcineurin:
3.1.3.16;

The structure of Crytal Structure of Mammalian Calcineurin, PDB code: 4orc was solved by L.Ma, S.J.Li, J.Wang, J.W.Wu, Z.X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.54 / 2.70
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	110.200, 110.200, 282.488, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 26

The structure of Crytal Structure of Mammalian Calcineurin also contains other interesting chemical elements:

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

The binding sites of Iron atom in the Crytal Structure of Mammalian Calcineurin (pdb code 4orc). 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 Crytal Structure of Mammalian Calcineurin, PDB code: 4orc:

Iron binding site 1 out of 1 in the Crytal Structure of Mammalian Calcineurin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crytal Structure of Mammalian Calcineurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:44.4 occ:1.00 NE2 A:HIS101 2.4 22.1 1.0 OD2 A:ASP99 2.5 21.0 1.0 OD2 A:ASP127 2.6 15.7 1.0 O1 A:PO4603 2.6 54.1 1.0 ZN A:ZN601 3.0 36.1 1.0 CG A:ASP99 3.3 20.4 1.0 CD2 A:HIS101 3.4 20.6 1.0 CE1 A:HIS101 3.4 19.2 1.0 O2 A:PO4603 3.4 54.1 1.0 P A:PO4603 3.5 54.1 1.0 CG A:ASP127 3.7 13.7 1.0 O A:HIS290 3.8 19.8 1.0 O4 A:PO4603 3.8 54.1 1.0 CB A:ASP99 4.0 21.6 1.0 OD1 A:ASP99 4.1 21.6 1.0 CB A:ASP127 4.1 12.2 1.0 CA A:HIS290 4.3 19.7 1.0 C A:HIS290 4.3 19.9 1.0 NE2 A:HIS208 4.4 9.3 1.0 CE1 A:HIS208 4.5 10.0 1.0 ND1 A:HIS101 4.5 20.7 1.0 CG A:HIS101 4.5 21.3 1.0 CD2 A:HIS160 4.6 12.5 1.0 CE1 A:PHE315 4.6 17.5 1.0 OH A:TYR320 4.7 28.0 1.0 NE2 A:HIS160 4.7 15.0 1.0 ND1 A:HIS290 4.7 20.1 1.0 OD1 A:ASP127 4.8 11.9 1.0 O3 A:PO4603 4.9 54.1 1.0 N A:HIS290 4.9 17.6 1.0 OD1 A:ASN159 4.9 12.8 1.0

S.J.Li, L.Ma, J.Wang, C.Lu, J.Wang, J.W.Wu, Z.X.Wang. Cooperative Autoinhibition and Multi-Level Activation Mechanisms of Calcineurin To Be Published.