Calcium in PDB 3hq6: Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type

All present enzymatic activity of Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type:
1.11.1.5;

The structure of Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type, PDB code: 3hq6 was solved by M.Hoffmann, J.Seidel, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.00 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.241, 55.783, 78.644, 68.69, 71.84, 57.76
R / Rfree (%)	18.9 / 26.6

The structure of Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Calcium atom in the Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type (pdb code 3hq6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type, PDB code: 3hq6:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:17.2 occ:1.00 OD1 A:ASN101 2.2 18.0 1.0 O A:HOH407 2.3 8.6 1.0 O A:THR278 2.3 17.6 1.0 O A:PRO280 2.4 16.3 1.0 O A:HOH405 2.4 22.4 1.0 O A:HOH393 2.4 12.3 1.0 O A:HOH394 2.6 11.2 1.0 CG A:ASN101 3.3 13.8 1.0 C A:THR278 3.6 17.7 1.0 C A:PRO280 3.6 15.9 1.0 ND2 A:ASN101 3.8 11.3 1.0 C A:TYR279 4.1 16.0 1.0 OG1 A:THR278 4.2 21.6 1.0 N A:PRO280 4.3 15.2 1.0 CB A:THR278 4.3 16.9 1.0 O A:TYR279 4.3 14.4 1.0 O A:HOH409 4.4 24.1 1.0 CA A:TYR279 4.4 15.3 1.0 N A:TYR279 4.4 17.5 1.0 O A:ALA102 4.5 15.3 1.0 CA A:TYR281 4.5 15.1 1.0 N A:TYR281 4.5 15.7 1.0 O A:HOH408 4.5 20.9 1.0 O A:HOH406 4.5 10.7 1.0 CA A:THR278 4.5 18.9 1.0 CB A:ASN101 4.6 15.4 1.0 CA A:PRO280 4.6 16.1 1.0 O2A A:HEM401 4.6 14.2 1.0 CD1 A:TYR281 4.7 15.7 1.0 O1A A:HEM401 4.7 15.0 1.0 CD A:PRO280 4.9 16.3 1.0

Calcium binding site 2 out of 2 in the Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cytochrome C Peroxidase From G. Sulfurreducens, Wild Type within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:18.8 occ:1.00 O B:HOH429 2.3 10.7 1.0 O B:THR278 2.3 17.9 1.0 O B:HOH433 2.3 16.5 1.0 O B:PRO280 2.4 20.2 1.0 OD1 B:ASN101 2.4 13.2 1.0 O B:HOH434 2.7 24.3 1.0 O B:HOH430 2.8 13.5 1.0 CG B:ASN101 3.5 17.7 1.0 C B:THR278 3.5 16.8 1.0 C B:PRO280 3.6 18.3 1.0 ND2 B:ASN101 4.0 17.3 1.0 C B:TYR279 4.1 19.1 1.0 N B:PRO280 4.2 19.3 1.0 O B:HOH431 4.3 25.4 1.0 CB B:THR278 4.3 16.4 1.0 O B:TYR279 4.3 20.3 1.0 OG1 B:THR278 4.3 18.3 1.0 O B:HOH432 4.3 15.0 1.0 CA B:TYR279 4.3 17.9 1.0 N B:TYR279 4.4 17.1 1.0 O2A B:HEM401 4.4 12.2 1.0 CA B:TYR281 4.5 16.5 1.0 O1A B:HEM401 4.5 11.5 1.0 N B:TYR281 4.5 17.4 1.0 CA B:THR278 4.5 16.5 1.0 O B:ALA102 4.6 16.2 1.0 CA B:PRO280 4.6 19.6 1.0 CD1 B:TYR281 4.6 15.9 1.0 O B:HOH435 4.7 14.6 1.0 CB B:ASN101 4.8 15.5 1.0 CD B:PRO280 4.8 20.7 1.0 CGA B:HEM401 4.9 15.7 1.0

M.Hoffmann, J.Seidel, O.Einsle. Ccpa From Geobacter Sulfurreducens Is A Basic Di-Heme Cytochrome C Peroxidase. J.Mol.Biol. V. 393 951 2009.
ISSN: ISSN 0022-2836
PubMed: 19735665
DOI: 10.1016/J.JMB.2009.09.001