Calcium in PDB 4aao: Maca-H93G

All present enzymatic activity of Maca-H93G:
1.11.1.5;

The structure of Maca-H93G, PDB code: 4aao was solved by J.Seidel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	102.81 / 2.30
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	118.719, 118.719, 245.980, 90.00, 90.00, 120.00
R / Rfree (%)	18.964 / 24.143

The structure of Maca-H93G also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Calcium atom in the Maca-H93G (pdb code 4aao). 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-H93G, PDB code: 4aao:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Maca-H93G


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Maca-H93G within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:28.4 occ:1.00 O A:HOH2052 2.2 25.0 1.0 O A:THR278 2.3 26.2 1.0 O A:PRO280 2.4 26.5 1.0 O A:HOH2059 2.4 27.0 1.0 OD1 A:ASN101 2.4 25.9 1.0 O A:HOH2051 2.5 21.0 1.0 O A:HOH2140 2.5 16.8 1.0 CG A:ASN101 3.4 27.9 1.0 C A:THR278 3.6 24.6 1.0 C A:PRO280 3.6 28.0 1.0 ND2 A:ASN101 3.9 26.0 1.0 C A:MET279 4.2 26.3 1.0 N A:PRO280 4.2 27.1 1.0 CB A:THR278 4.3 21.9 1.0 OG1 A:THR278 4.4 22.1 1.0 CA A:MET279 4.4 26.5 1.0 N A:MET279 4.4 24.8 1.0 O A:HOH2060 4.4 28.8 1.0 O A:HOH2169 4.5 32.1 1.0 CA A:TYR281 4.5 29.1 1.0 N A:TYR281 4.5 28.6 1.0 O A:MET279 4.5 26.9 1.0 CA A:PRO280 4.5 27.8 1.0 CA A:THR278 4.6 23.5 1.0 O A:SER102 4.6 26.1 1.0 O1A A:HEC401 4.6 24.6 1.0 OG1 A:THR84 4.6 25.1 1.0 CD1 A:TYR281 4.7 27.8 1.0 CB A:ASN101 4.7 28.3 1.0 O2A A:HEC401 4.7 23.0 1.0 CD A:PRO280 4.8 27.1 1.0

Calcium binding site 2 out of 2 in the Maca-H93G


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Maca-H93G within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:27.9 occ:1.00 O B:THR278 2.3 25.4 1.0 O B:HOH2030 2.3 19.9 1.0 O B:HOH2095 2.3 22.5 1.0 O B:PRO280 2.5 25.6 1.0 OD1 B:ASN101 2.5 23.9 1.0 O B:HOH2037 2.6 31.2 1.0 O B:HOH2029 2.7 25.0 1.0 C B:THR278 3.5 24.8 1.0 CG B:ASN101 3.5 26.3 1.0 C B:PRO280 3.7 26.9 1.0 ND2 B:ASN101 4.0 25.4 1.0 C B:MET279 4.1 25.0 1.0 OG1 B:THR278 4.2 23.6 1.0 CB B:THR278 4.2 23.7 1.0 N B:PRO280 4.3 25.7 1.0 O B:HOH2130 4.3 25.5 1.0 CA B:MET279 4.4 25.1 1.0 N B:MET279 4.4 23.8 1.0 O B:MET279 4.4 24.7 1.0 O B:SER102 4.4 23.5 1.0 CA B:TYR281 4.5 29.4 1.0 CA B:THR278 4.5 24.4 1.0 N B:TYR281 4.5 28.2 1.0 O B:HOH2038 4.5 23.2 1.0 CD1 B:TYR281 4.6 29.8 1.0 CA B:PRO280 4.6 26.7 1.0 O2A B:HEC401 4.7 27.3 1.0 OG1 B:THR84 4.7 27.8 1.0 O1A B:HEC401 4.7 28.1 1.0 CB B:ASN101 4.8 26.8 1.0 CD B:PRO280 4.9 25.2 1.0 CE1 B:TYR281 5.0 28.7 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