Calcium in PDB 2vhd: Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form

All present enzymatic activity of Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form:
1.11.1.5;

The structure of Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form, PDB code: 2vhd was solved by A.Echalier, T.Brittain, J.Wright, S.Boycheva, G.B.Mortuza, V.Fulop, N.J.Watmough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.70 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	173.200, 44.800, 106.200, 90.00, 106.70, 90.00
R / Rfree (%)	18.4 / 24.6

The structure of Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form (pdb code 2vhd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form, PDB code: 2vhd:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:37.6 occ:1.00 O A:PRO258 2.3 40.0 1.0 O A:THR256 2.3 42.0 1.0 O A:HOH2033 2.3 36.3 1.0 OD1 A:ASN79 2.4 38.0 1.0 O A:HOH2144 2.5 28.5 1.0 O A:HOH2031 2.5 29.8 1.0 O A:HOH2143 2.6 34.1 1.0 CG A:ASN79 3.4 37.4 1.0 C A:PRO258 3.5 40.1 1.0 C A:THR256 3.5 41.0 1.0 ND2 A:ASN79 3.8 34.7 1.0 CB A:THR256 4.1 40.6 1.0 N A:PRO258 4.2 39.7 1.0 OG1 A:THR256 4.2 39.0 1.0 C A:ALA257 4.3 39.6 1.0 CA A:THR256 4.4 40.4 1.0 N A:TYR259 4.4 40.3 1.0 O A:HOH2034 4.4 34.2 1.0 CA A:PRO258 4.4 39.2 1.0 CA A:TYR259 4.4 41.6 1.0 N A:ALA257 4.5 40.7 1.0 CA A:ALA257 4.5 40.1 1.0 O2A A:HEC402 4.5 42.4 1.0 CD1 A:TYR259 4.6 36.0 1.0 O A:HOH2035 4.6 32.5 1.0 O A:SER80 4.6 36.0 1.0 CB A:ASN79 4.7 36.8 1.0 CD A:PRO258 4.7 38.8 1.0 O A:ALA257 4.7 39.1 1.0 O1A A:HEC402 4.8 47.5 1.0 CE1 A:TYR259 5.0 39.8 1.0 OD1 A:ASN64 5.0 38.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Di-Haem Cytochrome C Peroxidase From Pseudomonas Aeruginosa - Mixed Valence Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:34.4 occ:1.00 O B:PRO258 2.3 36.5 1.0 O B:HOH2044 2.3 27.7 1.0 OD1 B:ASN79 2.4 31.7 1.0 O B:THR256 2.4 38.4 1.0 O B:HOH2144 2.5 31.3 1.0 O B:HOH2143 2.6 30.1 1.0 O B:HOH2037 2.6 33.5 1.0 CG B:ASN79 3.4 35.4 1.0 C B:PRO258 3.5 36.5 1.0 C B:THR256 3.7 36.4 1.0 ND2 B:ASN79 3.9 31.2 1.0 CB B:THR256 4.1 34.2 1.0 N B:PRO258 4.3 36.5 1.0 OG1 B:THR256 4.4 34.2 1.0 C B:ALA257 4.4 36.7 1.0 N B:TYR259 4.4 36.5 1.0 CA B:TYR259 4.4 36.3 1.0 CA B:PRO258 4.5 35.9 1.0 O B:SER80 4.5 39.8 1.0 CA B:THR256 4.5 35.3 1.0 O1A B:HEC402 4.5 39.1 1.0 CA B:ALA257 4.6 37.1 1.0 N B:ALA257 4.6 36.7 1.0 CD1 B:TYR259 4.6 36.1 1.0 O2A B:HEC402 4.6 36.6 1.0 CB B:ASN79 4.7 35.6 1.0 OD1 B:ASN64 4.8 32.5 1.0 CD B:PRO258 4.8 35.2 1.0 O B:ALA257 4.9 37.9 1.0 CE1 B:TYR259 5.0 35.7 1.0 CGA B:HEC402 5.0 36.4 1.0

A.Echalier, T.Brittain, J.Wright, S.Boycheva, G.B.Mortuza, V.Fulop, N.J.Watmough. Redox-Linked Structural Changes Associated with the Formation of A Catalytically Competent Form of the Diheme Cytochrome C Peroxidase From Pseudomonas Aeruginosa Biochemistry V. 47 1947 2008.
ISSN: ISSN 0006-2960
PubMed: 18217775
DOI: 10.1021/BI702064F