Calcium in PDB 5bwh: Structure of H200C Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.46 Ang Resolution

The structure of Structure of H200C Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.46 Ang Resolution, PDB code: 5bwh was solved by E.G.Kovaleva, J.D.Lipscomb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.66 / 1.46
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.414, 151.027, 96.468, 90.00, 90.00, 90.00
R / Rfree (%)	12.2 / 16.1

The structure of Structure of H200C Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.46 Ang Resolution also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Calcium atom in the Structure of H200C Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.46 Ang Resolution (pdb code 5bwh). 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 H200C Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.46 Ang Resolution, PDB code: 5bwh:

Calcium binding site 1 out of 1 in the Structure of H200C Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.46 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 H200C Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.46 Ang Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:18.4 occ:1.00 OE2 B:GLU185 2.3 25.1 1.0 OD1 B:ASP184 2.3 14.4 1.0 O B:HOH719 2.5 20.5 1.0 CG B:ASP184 3.3 14.5 1.0 CD B:GLU185 3.4 25.1 1.0 OD2 B:ASP184 3.5 14.3 1.0 CG B:GLU185 3.9 25.6 1.0 O B:HOH826 4.4 35.5 1.0 NE2 B:HIS288 4.4 18.0 1.0 OE1 B:GLU185 4.5 35.9 1.0 CB B:ASP184 4.6 13.8 1.0 N B:ASP184 4.7 13.4 1.0 CB B:GLU185 4.7 20.6 1.0 OD2 B:ASP183 4.9 20.7 1.0 N B:GLU185 4.9 15.1 1.0 CB B:ASP183 4.9 15.5 1.0 CA B:ASP184 5.0 14.8 1.0

K.K.Meier, M.S.Rogers, E.G.Kovaleva, M.M.Mbughuni, E.L.Bominaar, J.D.Lipscomb, E.Munck. A Long-Lived Fe(III)-(Hydroperoxo) Intermediate in the Active H200C Variant of Homoprotocatechuate 2,3-Dioxygenase: Characterization By Mossbauer, Electron Paramagnetic Resonance, and Density Functional Theory Methods. Inorg.Chem. V. 54 10269 2015.
ISSN: ISSN 0020-1669
PubMed: 26485328
DOI: 10.1021/ACS.INORGCHEM.5B01576