Iron in PDB 4hkr: Calcium Release-Activated Calcium (Crac) Channel Orai

The structure of Calcium Release-Activated Calcium (Crac) Channel Orai, PDB code: 4hkr was solved by S.B.Long, X.Hou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 3.35
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	117.910, 117.910, 117.910, 90.00, 90.00, 90.00
R / Rfree (%)	27.8 / 27.9

The structure of Calcium Release-Activated Calcium (Crac) Channel Orai also contains other interesting chemical elements:

Barium	(Ba)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Iron atom in the Calcium Release-Activated Calcium (Crac) Channel Orai (pdb code 4hkr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Calcium Release-Activated Calcium (Crac) Channel Orai, PDB code: 4hkr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Calcium Release-Activated Calcium (Crac) Channel Orai


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Calcium Release-Activated Calcium (Crac) Channel Orai within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:0.0 occ:0.33 NZ B:LYS163 3.8 0.1 1.0 NZ A:LYS163 3.8 0.9 1.0 NZ A:LYS159 4.2 0.1 1.0 NZ B:LYS159 4.2 0.7 1.0 FE A:FE404 4.9 0.7 0.3 CD B:LYS159 4.9 0.1 1.0 CD A:LYS159 4.9 0.2 1.0

Iron binding site 2 out of 2 in the Calcium Release-Activated Calcium (Crac) Channel Orai


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Calcium Release-Activated Calcium (Crac) Channel Orai within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:0.7 occ:0.33 NZ A:LYS159 3.4 0.1 1.0 NZ B:LYS159 3.4 0.7 1.0 NH2 A:ARG155 4.1 0.3 1.0 NH2 B:ARG155 4.1 0.5 1.0 CE B:LYS159 4.6 0.8 1.0 CE A:LYS159 4.6 0.3 1.0 FE A:FE403 4.9 0.0 0.3

X.Hou, L.Pedi, M.M.Diver, S.B.Long. Crystal Structure of the Calcium Release-Activated Calcium Channel Orai. Science V. 338 1308 2012.
ISSN: ISSN 0036-8075
PubMed: 23180775
DOI: 10.1126/SCIENCE.1228757