Calcium in PDB 3riw: The Crystal Structure of Leishmania Major Peroxidase Mutant C197T

All present enzymatic activity of The Crystal Structure of Leishmania Major Peroxidase Mutant C197T:
1.11.1.11;

The structure of The Crystal Structure of Leishmania Major Peroxidase Mutant C197T, PDB code: 3riw was solved by V.S.Jasion, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.43 / 2.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.819, 77.766, 160.580, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 24.1

The structure of The Crystal Structure of Leishmania Major Peroxidase Mutant C197T also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Iron	(Fe)	2 atoms

The binding sites of Calcium atom in the The Crystal Structure of Leishmania Major Peroxidase Mutant C197T (pdb code 3riw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of Leishmania Major Peroxidase Mutant C197T, PDB code: 3riw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of Leishmania Major Peroxidase Mutant C197T


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Leishmania Major Peroxidase Mutant C197T within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca306 b:31.1 occ:1.00 OE2 A:GLU92 2.7 25.6 1.0 OG A:SER86 2.8 21.8 1.0 OG A:SER72 2.9 23.4 1.0 O A:GLU69 3.0 21.1 1.0 O A:SER81 3.0 25.7 1.0 OE2 A:GLU69 3.1 22.3 1.0 OE1 A:GLU69 3.1 23.2 1.0 CD A:GLU69 3.2 21.2 1.0 OE1 A:GLU92 3.4 26.4 1.0 CD A:GLU92 3.4 27.1 1.0 O A:GLY80 3.7 26.5 1.0 C A:SER81 3.8 25.4 1.0 CB A:SER72 3.8 23.0 1.0 O A:HOH317 3.8 15.6 1.0 C A:GLU69 3.8 21.6 1.0 CA A:PRO82 4.0 22.6 1.0 CA A:GLU69 4.1 21.7 1.0 CB A:SER86 4.1 22.8 1.0 N A:PRO82 4.2 24.1 1.0 CG A:GLU69 4.3 21.4 1.0 N A:SER86 4.5 22.3 1.0 N A:MET87 4.5 22.3 1.0 C A:PRO82 4.6 22.7 1.0 N A:ASN83 4.6 20.6 1.0 OG A:SER84 4.6 18.9 1.0 CA A:SER86 4.7 22.9 1.0 CB A:GLU69 4.7 22.1 1.0 O A:HIS68 4.8 21.7 1.0 C A:GLY80 4.8 27.2 1.0 CA A:SER81 4.9 27.1 1.0 C A:SER86 4.9 23.2 1.0 CG A:GLU92 4.9 24.0 1.0 OG A:SER81 5.0 31.4 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of Leishmania Major Peroxidase Mutant C197T


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of Leishmania Major Peroxidase Mutant C197T within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca309 b:35.4 occ:1.00 OE2 B:GLU69 2.6 31.2 1.0 OG B:SER86 2.7 29.5 1.0 OG B:SER72 2.7 35.3 1.0 O B:GLU69 2.9 28.8 1.0 OE2 B:GLU92 2.9 37.1 1.0 O B:SER81 2.9 31.4 1.0 CD B:GLU69 3.1 32.5 1.0 OE1 B:GLU69 3.3 31.0 1.0 OE1 B:GLU92 3.5 42.2 1.0 CD B:GLU92 3.6 38.8 1.0 O B:GLY80 3.7 37.7 1.0 C B:SER81 3.7 32.2 1.0 CB B:SER72 3.7 32.9 1.0 C B:GLU69 3.9 28.4 1.0 CA B:PRO82 3.9 28.5 1.0 CB B:SER86 4.0 29.4 1.0 CA B:GLU69 4.1 28.1 1.0 N B:PRO82 4.2 30.2 1.0 CG B:GLU69 4.2 28.5 1.0 N B:SER86 4.4 28.9 1.0 N B:ASN83 4.4 27.1 1.0 C B:PRO82 4.5 28.1 1.0 OG B:SER84 4.5 27.7 1.0 N B:MET87 4.6 29.0 1.0 CA B:SER86 4.6 29.8 1.0 OG B:SER81 4.7 37.1 1.0 CB B:GLU69 4.8 27.9 1.0 CA B:SER81 4.8 34.8 1.0 C B:GLY80 4.8 37.9 1.0 O B:HIS68 4.8 26.1 1.0 CB B:SER81 4.8 35.5 1.0 C B:SER86 4.9 30.0 1.0 CA B:SER72 5.0 33.0 1.0

V.S.Jasion, J.A.Polanco, Y.T.Meharenna, H.Li, T.L.Poulos. Crystal Structure of Leishmania Major Peroxidase and Characterization of the Compound I Tryptophan Radical. J.Biol.Chem. V. 286 24608 2011.
ISSN: ISSN 0021-9258
PubMed: 21566139
DOI: 10.1074/JBC.M111.230524