Calcium in PDB 3hq9: Ccpa From G. Sulfurreducens, S134P Variant

All present enzymatic activity of Ccpa From G. Sulfurreducens, S134P Variant:
1.11.1.5;

The structure of Ccpa From G. Sulfurreducens, S134P Variant, PDB code: 3hq9 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)	63.92 / 1.52
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.899, 55.473, 68.606, 104.71, 99.39, 108.97
R / Rfree (%)	16 / 18.4

The structure of Ccpa From G. Sulfurreducens, S134P Variant also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Calcium atom in the Ccpa From G. Sulfurreducens, S134P Variant (pdb code 3hq9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Ccpa From G. Sulfurreducens, S134P Variant, PDB code: 3hq9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Ccpa From G. Sulfurreducens, S134P Variant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ccpa From G. Sulfurreducens, S134P Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:13.3 occ:1.00 O A:THR278 2.4 13.5 1.0 O A:HOH363 2.4 14.4 1.0 O A:PRO280 2.4 14.5 1.0 O A:HOH354 2.4 14.8 1.0 OD1 A:ASN101 2.4 14.0 1.0 O A:HOH353 2.4 14.6 1.0 O A:HOH379 2.4 13.1 1.0 CG A:ASN101 3.3 13.9 1.0 C A:THR278 3.6 14.3 1.0 C A:PRO280 3.6 14.9 1.0 ND2 A:ASN101 3.7 15.0 1.0 C A:TYR279 4.1 13.9 1.0 O A:ALA102 4.3 13.3 1.0 N A:PRO280 4.3 13.8 1.0 O A:TYR279 4.3 14.8 1.0 CB A:THR278 4.4 15.7 1.0 CA A:TYR281 4.4 14.1 1.0 N A:TYR279 4.4 13.9 1.0 O A:HOH491 4.4 14.5 1.0 O A:HOH391 4.4 15.5 1.0 N A:TYR281 4.4 14.5 1.0 OG1 A:THR278 4.4 15.0 1.0 O A:HOH579 4.5 23.6 1.0 CA A:TYR279 4.5 14.2 1.0 O2A A:HEM401 4.5 14.7 1.0 CA A:THR278 4.6 14.6 1.0 CA A:PRO280 4.6 14.3 1.0 O1A A:HEM401 4.7 14.5 1.0 CB A:ASN101 4.7 13.7 1.0 CD1 A:TYR281 4.7 14.4 1.0 CD A:PRO280 5.0 14.0 1.0

Calcium binding site 2 out of 2 in the Ccpa From G. Sulfurreducens, S134P Variant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ccpa From G. Sulfurreducens, S134P Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:10.3 occ:1.00 O B:PRO280 2.3 11.8 1.0 O B:THR278 2.3 12.5 1.0 O B:HOH383 2.3 12.6 1.0 OD1 B:ASN101 2.4 12.1 1.0 O B:HOH460 2.5 14.0 1.0 O B:HOH394 2.5 11.7 1.0 O B:HOH405 2.5 12.9 1.0 CG B:ASN101 3.3 11.0 1.0 C B:PRO280 3.6 11.4 1.0 C B:THR278 3.6 12.2 1.0 ND2 B:ASN101 3.7 10.7 1.0 C B:TYR279 4.1 11.7 1.0 N B:PRO280 4.3 11.9 1.0 CB B:THR278 4.3 13.1 1.0 OG1 B:THR278 4.4 12.0 1.0 O B:TYR279 4.4 12.2 1.0 O B:HOH376 4.4 13.3 1.0 N B:TYR281 4.4 11.3 1.0 CA B:TYR281 4.4 11.5 1.0 N B:TYR279 4.4 12.2 1.0 O B:ALA102 4.5 11.8 1.0 O B:HOH490 4.5 12.1 1.0 CA B:TYR279 4.5 12.2 1.0 O2A B:HEM401 4.5 13.1 1.0 O B:HOH649 4.5 21.9 1.0 CA B:THR278 4.5 12.8 1.0 O B:HOH386 4.5 28.5 1.0 CA B:PRO280 4.6 11.9 1.0 CB B:ASN101 4.7 10.7 1.0 O1A B:HEM401 4.7 12.9 1.0 CD1 B:TYR281 4.7 12.8 1.0 CD B:PRO280 4.9 12.2 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