Calcium in PDB 3hq8: Ccpa From G. Sulfurreducens S134P/V135K Variant

All present enzymatic activity of Ccpa From G. Sulfurreducens S134P/V135K Variant:
1.11.1.5;

The structure of Ccpa From G. Sulfurreducens S134P/V135K Variant, PDB code: 3hq8 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)	44.77 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.160, 89.508, 75.111, 90.00, 107.57, 90.00
R / Rfree (%)	22.9 / 32.4

The structure of Ccpa From G. Sulfurreducens S134P/V135K Variant also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Calcium atom in the Ccpa From G. Sulfurreducens S134P/V135K Variant (pdb code 3hq8). 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/V135K Variant, PDB code: 3hq8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Ccpa From G. Sulfurreducens S134P/V135K 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/V135K Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:31.1 occ:1.00 O A:HOH381 2.1 24.5 1.0 OD1 A:ASN101 2.2 31.7 1.0 O A:PRO280 2.4 30.1 1.0 O A:HOH355 2.4 49.4 1.0 O A:THR278 2.5 27.6 1.0 CG A:ASN101 3.4 25.3 1.0 C A:THR278 3.6 27.9 1.0 C A:PRO280 3.6 30.1 1.0 OG1 A:THR278 3.7 23.9 1.0 ND2 A:ASN101 4.0 23.6 1.0 O2A A:HEM401 4.2 26.8 1.0 C A:TYR279 4.2 28.5 1.0 CB A:THR278 4.2 27.9 1.0 O A:HOH354 4.3 27.1 1.0 N A:PRO280 4.3 28.6 1.0 CA A:TYR281 4.3 31.2 1.0 O A:TYR279 4.4 27.6 1.0 N A:TYR279 4.5 28.3 1.0 N A:TYR281 4.5 30.9 1.0 CD1 A:TYR281 4.5 27.1 1.0 CB A:ASN101 4.5 22.0 1.0 CA A:TYR279 4.5 27.8 1.0 CA A:THR278 4.6 28.0 1.0 CA A:PRO280 4.7 29.2 1.0 O A:ALA102 4.8 22.0 1.0 CE1 A:TYR281 4.9 27.6 1.0 O A:PHE282 5.0 34.3 1.0

Calcium binding site 2 out of 2 in the Ccpa From G. Sulfurreducens S134P/V135K 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/V135K Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:37.7 occ:1.00 O B:HOH394 2.2 24.7 1.0 O B:THR278 2.3 26.7 1.0 O B:PRO280 2.4 26.4 1.0 OD1 B:ASN101 2.6 28.5 1.0 CG B:ASN101 3.5 28.2 1.0 C B:THR278 3.5 27.0 1.0 C B:PRO280 3.7 27.6 1.0 ND2 B:ASN101 3.8 25.9 1.0 O B:ALA102 4.2 27.8 1.0 C B:TYR279 4.2 27.4 1.0 N B:TYR279 4.3 27.2 1.0 CB B:THR278 4.4 27.3 1.0 CA B:TYR279 4.4 27.4 1.0 CA B:TYR281 4.4 28.4 1.0 N B:PRO280 4.4 27.9 1.0 O2A B:HEM401 4.4 40.7 1.0 O1A B:HEM401 4.4 37.9 1.0 N B:TYR281 4.5 27.9 1.0 O B:TYR279 4.6 27.3 1.0 CA B:THR278 4.6 27.3 1.0 CD1 B:TYR281 4.7 29.5 1.0 CA B:PRO280 4.7 27.6 1.0 CGA B:HEM401 4.8 39.5 1.0 CB B:ASN101 4.9 29.5 1.0 CD B:PRO280 5.0 27.2 1.0 OG1 B:THR278 5.0 25.3 1.0 N B:PHE282 5.0 28.5 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