Calcium in PDB 5ala: Structure of Leishmania Major Peroxidase D211R Mutant (Low Res)

All present enzymatic activity of Structure of Leishmania Major Peroxidase D211R Mutant (Low Res):
1.11.1.11; 1.11.1.5;

The structure of Structure of Leishmania Major Peroxidase D211R Mutant (Low Res), PDB code: 5ala was solved by G.Chreifi, S.A.Hollingsworth, H.Li, S.Tripathi, A.P.Arce, H.I.Magana-Garcia, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.837 / 2.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.880, 79.170, 179.190, 90.00, 90.00, 90.00
R / Rfree (%)	20.92 / 28.23

The structure of Structure of Leishmania Major Peroxidase D211R Mutant (Low Res) also contains other interesting chemical elements:

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

The binding sites of Calcium atom in the Structure of Leishmania Major Peroxidase D211R Mutant (Low Res) (pdb code 5ala). 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 Structure of Leishmania Major Peroxidase D211R Mutant (Low Res), PDB code: 5ala:

Calcium binding site 1 out of 1 in the Structure of Leishmania Major Peroxidase D211R Mutant (Low Res)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Leishmania Major Peroxidase D211R Mutant (Low Res) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca307 b:0.4 occ:1.00 OG A:SER72 2.4 47.8 1.0 O A:GLU69 2.5 40.4 1.0 OE2 A:GLU92 2.5 73.5 1.0 CB A:SER72 3.1 45.3 1.0 CD A:GLU92 3.5 72.3 1.0 C A:GLU69 3.5 39.7 1.0 OG A:SER86 3.6 64.8 1.0 OE2 A:GLU69 3.6 50.3 1.0 OE1 A:GLU92 3.7 72.9 1.0 O A:SER81 3.8 45.9 1.0 O A:GLY80 3.9 57.1 1.0 CD A:GLU69 3.9 49.6 1.0 CA A:GLU69 4.0 43.6 1.0 OE1 A:GLU69 4.0 51.0 1.0 O A:HIS68 4.1 46.0 1.0 N A:SER72 4.1 39.9 1.0 CA A:SER72 4.2 41.2 1.0 CA A:PRO82 4.3 43.6 1.0 C A:SER81 4.5 44.2 1.0 N A:ALA70 4.6 34.4 1.0 N A:PRO82 4.7 44.3 1.0 CG A:GLU69 4.8 46.5 1.0 CG A:GLU92 4.8 70.0 1.0 C A:ALA70 4.9 32.9 1.0 C A:GLY80 4.9 54.1 1.0 CA A:ALA70 4.9 34.0 1.0 C A:HIS68 4.9 45.3 1.0 CB A:GLU69 5.0 45.5 1.0 CB A:SER86 5.0 66.5 1.0

G.Chreifi, S.A.Hollingsworth, H.Li, S.Tripathi, A.P.Arce, H.I.Magana-Garcia, T.L.Poulos. Enzymatic Mechanism of Leishmania Major Peroxidase and the Critical Role of Specific Ionic Interactions. Biochemistry 2015.
ISSN: ESSN 1520-4995
PubMed: 25941976
DOI: 10.1021/ACS.BIOCHEM.5B00338