Calcium in PDB 3hq7: Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant

All present enzymatic activity of Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant:
1.11.1.5;

The structure of Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant, PDB code: 3hq7 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 / 2.31
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.299, 99.353, 78.225, 89.97, 89.98, 90.00
R / Rfree (%)	20.9 / 29.4

The structure of Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Calcium atom in the Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant (pdb code 3hq7). 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 Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant, PDB code: 3hq7:

Calcium binding site 1 out of 1 in the Ccpa From G. Sulfurreducens, G94K/K97Q/R100I 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, G94K/K97Q/R100I Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:19.3 occ:1.00 O A:HOH468 1.7 25.7 1.0 O A:HOH469 2.1 14.8 1.0 OD1 A:ASN101 2.4 28.7 1.0 O A:THR278 2.4 27.1 1.0 O A:PRO280 2.5 35.5 1.0 CG A:ASN101 3.4 29.8 1.0 C A:THR278 3.7 28.7 1.0 ND2 A:ASN101 3.7 24.5 1.0 C A:PRO280 3.7 33.6 1.0 O A:HOH471 4.0 25.1 1.0 O A:HOH503 4.2 31.4 1.0 C A:TYR279 4.2 30.5 1.0 O A:TYR279 4.2 32.6 1.0 N A:PRO280 4.3 31.2 1.0 O A:HOH354 4.4 24.6 1.0 OG1 A:THR278 4.4 26.0 1.0 O A:ALA102 4.4 28.9 1.0 O2A A:HEM402 4.4 25.0 1.0 CB A:THR278 4.4 26.4 1.0 CA A:TYR281 4.5 33.4 1.0 O1A A:HEM402 4.5 31.6 1.0 N A:TYR279 4.5 27.7 1.0 O A:HOH409 4.5 24.4 1.0 CA A:TYR279 4.5 29.7 1.0 N A:TYR281 4.5 34.0 1.0 CA A:THR278 4.7 27.6 1.0 CB A:ASN101 4.7 33.1 1.0 CA A:PRO280 4.7 31.9 1.0 CD A:PRO280 4.8 29.6 1.0 CGA A:HEM402 4.9 33.3 1.0 CD2 A:TYR281 4.9 30.1 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