Calcium in PDB 3ojt: Structure of Native Fe-Containing Homoprotocatechuate 2,3-Dioxygenase at 1.70 Ang Resolution

The structure of Structure of Native Fe-Containing Homoprotocatechuate 2,3-Dioxygenase at 1.70 Ang Resolution, PDB code: 3ojt was solved by A.J.Fielding, E.G.Kovaleva, E.R.Farquhar, J.D.Lipscomb, L.Que Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.49 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.747, 151.229, 96.385, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 18.8

The structure of Structure of Native Fe-Containing Homoprotocatechuate 2,3-Dioxygenase at 1.70 Ang Resolution also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Calcium atom in the Structure of Native Fe-Containing Homoprotocatechuate 2,3-Dioxygenase at 1.70 Ang Resolution (pdb code 3ojt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of Native Fe-Containing Homoprotocatechuate 2,3-Dioxygenase at 1.70 Ang Resolution, PDB code: 3ojt:

Calcium binding site 1 out of 1 in the Structure of Native Fe-Containing Homoprotocatechuate 2,3-Dioxygenase at 1.70 Ang Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Native Fe-Containing Homoprotocatechuate 2,3-Dioxygenase at 1.70 Ang Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca366 b:18.3 occ:1.00 OE2 B:GLU185 2.1 28.6 1.0 OD1 B:ASP184 2.4 15.9 1.0 O B:HOH371 2.4 11.2 1.0 CD B:GLU185 3.3 30.2 1.0 CG B:ASP184 3.3 18.5 1.0 OD2 B:ASP184 3.6 15.2 1.0 CG B:GLU185 3.8 25.6 1.0 O B:HOH456 4.2 20.7 1.0 OE1 B:GLU185 4.4 36.2 1.0 NE2 B:HIS288 4.4 15.0 1.0 O B:HOH1459 4.4 30.9 1.0 N B:ASP184 4.6 14.5 1.0 CB B:ASP184 4.7 16.0 1.0 CB B:GLU185 4.7 21.0 1.0 OD2 B:ASP183 4.8 20.8 1.0 N B:GLU185 4.9 18.5 1.0 CB B:ASP183 4.9 14.5 1.0 CD2 B:HIS288 5.0 14.6 1.0

A.J.Fielding, E.G.Kovaleva, E.R.Farquhar, J.D.Lipscomb, L.Que. A Hyperactive Cobalt-Substituted Extradiol-Cleaving Catechol Dioxygenase. J.Biol.Inorg.Chem. V. 16 341 2011.
ISSN: ISSN 0949-8257
PubMed: 21153851
DOI: 10.1007/S00775-010-0732-0