Calcium in PDB 3au9: Crystal Structure of the Quaternary Complex-1 of An Isomerase

The structure of Crystal Structure of the Quaternary Complex-1 of An Isomerase, PDB code: 3au9 was solved by T.Umeda, N.Tanaka, Y.Kusakabe, M.Nakanishi, Y.Kitade, K.T.Nakamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.181, 77.615, 110.727, 90.00, 90.88, 90.00
R / Rfree (%)	19.2 / 22.9

The structure of Crystal Structure of the Quaternary Complex-1 of An Isomerase also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of the Quaternary Complex-1 of An Isomerase (pdb code 3au9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Quaternary Complex-1 of An Isomerase, PDB code: 3au9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Quaternary Complex-1 of An Isomerase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Quaternary Complex-1 of An Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca489 b:18.8 occ:1.00 O B:GLN239 2.3 15.6 1.0 O B:LEU241 2.3 17.9 1.0 OD1 A:ASP242 2.3 19.2 1.0 O B:HOH843 2.4 20.4 1.0 O A:HOH903 2.5 21.1 1.0 O B:HOH762 2.6 19.4 1.0 O B:HOH721 2.6 19.8 1.0 CG A:ASP242 3.3 20.2 1.0 C B:GLN239 3.4 15.8 1.0 C B:LEU241 3.6 18.0 1.0 OD2 A:ASP242 3.6 21.9 1.0 C B:CYS240 4.1 16.5 1.0 CA B:GLN239 4.1 15.7 1.0 N B:LEU241 4.1 17.4 1.0 N B:CYS240 4.3 15.4 1.0 O B:CYS240 4.4 17.2 1.0 N B:ASN243 4.4 18.3 1.0 O B:PHE238 4.4 15.9 1.0 N B:ASP242 4.5 18.5 1.0 CA B:LEU241 4.5 17.8 1.0 CA B:ASP242 4.5 18.6 1.0 CA B:CYS240 4.5 16.6 1.0 O A:CYS240 4.6 18.3 1.0 O B:HOH737 4.6 21.1 1.0 CB A:ASP242 4.6 19.8 1.0 CD1 A:ILE352 4.6 18.1 1.0 OD1 B:ASN243 4.7 18.7 1.0 CG B:ASN243 4.7 18.3 1.0 CA A:ASP242 4.8 19.8 1.0 ND2 B:ASN243 4.8 17.6 1.0 N A:ASP242 4.9 19.3 1.0 OH B:TYR366 4.9 18.0 1.0 C B:ASP242 4.9 18.8 1.0 O A:LEU241 5.0 19.7 1.0 C A:LEU241 5.0 19.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Quaternary Complex-1 of An Isomerase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Quaternary Complex-1 of An Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca490 b:23.8 occ:1.00 O B:HOH876 2.2 31.3 1.0 OD1 B:ASN452 2.3 22.4 1.0 O B:HOH775 2.4 20.1 1.0 O B:HOH883 2.4 38.8 1.0 CG B:ASN452 3.4 23.0 1.0 ND2 B:ASN452 3.9 22.9 1.0 O B:HOH1129 4.1 34.3 1.0 O B:GLU449 4.3 20.2 1.0 O B:SER450 4.4 20.9 1.0 O B:PHE451 4.5 21.3 1.0 CB B:ASN452 4.7 22.8 1.0 C B:SER450 5.0 20.9 1.0

T.Umeda, N.Tanaka, Y.Kusakabe, M.Nakanishi, Y.Kitade, K.T.Nakamura. Molecular Basis of Fosmidomycin'S Action on the Human Malaria Parasite Plasmodium Falciparum Sci Rep V. 1 9 2011.
ISSN: ESSN 2045-2322
PubMed: 22355528
DOI: 10.1038/SREP00009