Calcium in PDB 4aan: Maca Wild-Type Fully Reduced

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

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

Resolution Low / High (Å)	77.92 / 1.22
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.600, 46.970, 77.930, 90.00, 90.94, 90.00
R / Rfree (%)	14.69 / 16.624

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

Iron

(Fe)

2 atoms

The binding sites of Calcium atom in the Maca Wild-Type Fully Reduced (pdb code 4aan). 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 Maca Wild-Type Fully Reduced, PDB code: 4aan:

Calcium binding site 1 out of 1 in the Maca Wild-Type Fully Reduced


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 Fully Reduced within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:5.8 occ:1.00 O A:PRO280 2.3 6.2 1.0 O A:HOH2097 2.3 7.2 1.0 O A:THR278 2.3 6.9 1.0 O A:HOH2122 2.4 7.3 1.0 O A:HOH2299 2.4 6.5 1.0 OD1 A:ASN101 2.4 5.8 1.0 O A:HOH2096 2.5 7.5 1.0 CG A:ASN101 3.4 5.8 1.0 C A:PRO280 3.5 6.0 1.0 C A:THR278 3.6 6.1 1.0 ND2 A:ASN101 3.8 6.1 1.0 C A:MET279 4.1 6.1 1.0 O A:SER102 4.3 6.9 1.0 N A:PRO280 4.3 6.2 1.0 CB A:THR278 4.3 6.3 1.0 CA A:TYR281 4.4 6.3 1.0 O A:MET279 4.4 7.1 1.0 OG1 A:THR278 4.4 7.3 1.0 N A:TYR281 4.4 6.0 1.0 CA A:MET279 4.4 6.6 1.0 O A:HOH2123 4.4 10.0 1.0 N A:MET279 4.5 6.2 1.0 CA A:THR278 4.5 6.5 1.0 CA A:PRO280 4.6 6.4 1.0 O2A A:HEC401 4.6 6.6 1.0 OG1 A:THR84 4.6 3.5 0.5 CD1 A:TYR281 4.6 7.3 1.0 O1A A:HEC401 4.7 7.1 1.0 CB A:ASN101 4.7 6.1 1.0 CD A:PRO280 4.8 7.0 1.0 O A:HOH2362 5.0 14.5 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