Calcium in PDB 4aal: Maca Wild-Type Oxidized

All present enzymatic activity of Maca Wild-Type Oxidized:
1.11.1.5;

The structure of Maca Wild-Type Oxidized, PDB code: 4aal was solved by J.Seidel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	102.06 / 1.84
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	118.030, 118.030, 242.036, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 23.7

The structure of Maca Wild-Type Oxidized also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Calcium atom in the Maca Wild-Type Oxidized (pdb code 4aal). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Maca Wild-Type Oxidized, PDB code: 4aal:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Maca Wild-Type Oxidized


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Maca Wild-Type Oxidized within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca425 b:25.9 occ:1.00 O A:THR278 2.3 25.8 1.0 O A:HOH2265 2.3 20.7 1.0 O A:HOH2084 2.4 22.7 1.0 O A:PRO280 2.4 26.1 1.0 OD1 A:ASN101 2.4 22.7 1.0 O A:HOH2108 2.5 21.6 1.0 O A:HOH2085 2.5 29.0 1.0 CG A:ASN101 3.4 24.3 1.0 C A:THR278 3.6 24.4 1.0 C A:PRO280 3.6 25.4 1.0 ND2 A:ASN101 3.8 23.4 1.0 C A:MET279 4.2 26.5 1.0 CB A:THR278 4.2 23.1 1.0 OG1 A:THR278 4.3 23.9 1.0 N A:PRO280 4.3 26.3 1.0 O A:SER102 4.3 22.7 1.0 O A:HOH2110 4.4 26.3 1.0 N A:MET279 4.4 26.3 1.0 CA A:MET279 4.4 25.4 1.0 CA A:TYR281 4.4 27.3 1.0 N A:TYR281 4.5 27.4 1.0 O A:MET279 4.5 25.9 1.0 O1A A:HEC424 4.5 25.4 1.0 CA A:THR278 4.6 24.3 1.0 O2A A:HEC424 4.6 24.5 1.0 O A:HOH2335 4.6 31.1 1.0 CA A:PRO280 4.6 26.1 1.0 OG1 A:THR84 4.6 27.5 1.0 CD1 A:TYR281 4.6 25.9 1.0 CB A:ASN101 4.7 24.4 1.0 CD A:PRO280 4.9 27.1 1.0 CGA A:HEC424 5.0 25.2 1.0 CE1 A:TYR281 5.0 24.8 1.0

Calcium binding site 2 out of 2 in the Maca Wild-Type Oxidized


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Maca Wild-Type Oxidized within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca425 b:25.9 occ:1.00 O B:PRO280 2.3 26.3 1.0 O B:THR278 2.3 25.8 1.0 OD1 B:ASN101 2.4 22.7 1.0 O B:HOH2229 2.4 23.5 1.0 O B:HOH2092 2.4 23.4 1.0 O B:HOH2071 2.4 23.4 1.0 O B:HOH2070 2.5 25.7 1.0 CG B:ASN101 3.4 22.8 1.0 C B:PRO280 3.5 27.5 1.0 C B:THR278 3.6 27.5 1.0 ND2 B:ASN101 3.8 24.4 1.0 C B:MET279 4.2 26.6 1.0 CB B:THR278 4.2 24.6 1.0 N B:PRO280 4.2 27.4 1.0 OG1 B:THR278 4.3 26.7 1.0 O B:HOH2093 4.3 23.8 1.0 CA B:TYR281 4.4 27.5 1.0 O B:SER102 4.4 26.4 1.0 O B:HOH2277 4.4 29.5 1.0 N B:TYR281 4.4 28.2 1.0 O B:MET279 4.4 31.9 1.0 CA B:MET279 4.5 27.5 1.0 N B:MET279 4.5 26.0 1.0 CD1 B:TYR281 4.5 28.8 1.0 CA B:PRO280 4.5 26.9 1.0 CA B:THR278 4.6 25.1 1.0 O1A B:HEC424 4.6 26.9 1.0 O2A B:HEC424 4.6 24.4 1.0 OG1 B:THR84 4.6 26.5 1.0 CB B:ASN101 4.7 22.0 1.0 CE1 B:TYR281 4.9 26.5 1.0 CD B:PRO280 4.9 26.5 1.0

J.Seidel, M.Hoffmann, K.E.Ellis, A.Seidel, T.Spatzal, S.Gerhardt, S.J.Elliott, O.Einsle. Maca Is A Second Cytochrome C Peroxidase of Geobacter Sulfurreducens. Biochemistry V. 51 2747 2012.
ISSN: ISSN 0006-2960
PubMed: 22417533
DOI: 10.1021/BI300249U