Magnesium in PDB 3aua: Crystal Structure of the Quaternary Complex-2 of An Isomerase

The structure of Crystal Structure of the Quaternary Complex-2 of An Isomerase, PDB code: 3aua 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 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.011, 77.606, 111.736, 90.00, 90.63, 90.00
R / Rfree (%)	17.2 / 22

The structure of Crystal Structure of the Quaternary Complex-2 of An Isomerase also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Quaternary Complex-2 of An Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:15.3 occ:1.00 OE2 A:GLU315 1.9 18.8 1.0 O2 A:F98701 1.9 16.7 1.0 O1 A:F98701 2.0 18.0 1.0 OE1 A:GLU233 2.1 17.2 1.0 OD1 A:ASP231 2.1 20.6 1.0 C1 A:F98701 2.6 17.0 1.0 N1 A:F98701 2.7 16.1 1.0 CD A:GLU233 2.9 18.2 1.0 OE2 A:GLU233 2.9 18.9 1.0 CD A:GLU315 2.9 19.5 1.0 CG A:ASP231 3.2 19.5 1.0 NZ A:LYS205 3.4 23.6 1.0 OE1 A:GLU315 3.5 20.8 1.0 OD2 A:ASP231 3.7 23.5 1.0 N A:SER232 3.9 17.1 1.0 OG A:SER232 4.0 17.1 1.0 C2 A:F98701 4.0 19.4 1.0 C11 A:F98701 4.1 15.2 1.0 CG A:GLU315 4.1 16.9 1.0 ND2 A:ASN311 4.1 21.0 1.0 C5N A:NDP501 4.2 18.4 1.0 CG A:GLU233 4.3 15.8 1.0 N A:GLU233 4.3 15.0 1.0 C3 A:F98701 4.4 21.4 1.0 CB A:ASP231 4.4 18.8 1.0 C A:ASP231 4.5 17.8 1.0 NZ A:LYS312 4.6 19.1 1.0 CA A:ASP231 4.6 17.9 1.0 CB A:SER232 4.7 16.2 1.0 CA A:SER232 4.7 16.1 1.0 CE A:LYS205 4.8 22.5 1.0 OD1 A:ASN311 4.8 22.3 1.0 CB A:GLU233 4.9 16.0 1.0 CG A:ASN311 4.9 20.6 1.0 C4N A:NDP501 4.9 20.5 1.0

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Quaternary Complex-2 of An Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:18.6 occ:1.00 OE2 B:GLU315 1.9 12.2 1.0 OE1 B:GLU233 1.9 17.7 1.0 O2 B:F98702 2.0 16.6 1.0 OD1 B:ASP231 2.0 19.3 1.0 O1 B:F98702 2.2 17.1 1.0 N1 B:F98702 2.7 18.1 1.0 C1 B:F98702 2.7 17.5 1.0 CD B:GLU233 2.8 15.7 1.0 CD B:GLU315 3.0 13.7 1.0 OE2 B:GLU233 3.0 15.8 1.0 CG B:ASP231 3.1 20.0 1.0 NZ B:LYS205 3.4 16.6 1.0 OE1 B:GLU315 3.5 16.2 1.0 OD2 B:ASP231 3.5 22.3 1.0 N B:SER232 4.0 18.1 1.0 C2 B:F98702 4.0 19.8 1.0 ND2 B:ASN311 4.1 14.7 1.0 OG B:SER232 4.1 19.9 1.0 C11 B:F98702 4.1 18.1 1.0 CG B:GLU315 4.2 15.4 1.0 C3 B:F98702 4.2 20.5 1.0 CG B:GLU233 4.2 15.3 1.0 CB B:ASP231 4.3 19.2 1.0 N B:GLU233 4.3 16.1 1.0 C5N B:NDP502 4.3 13.0 1.0 C B:ASP231 4.5 17.9 1.0 CA B:ASP231 4.6 18.4 1.0 NZ B:LYS312 4.6 19.2 1.0 CB B:GLU233 4.7 15.1 1.0 CE B:LYS205 4.7 18.4 1.0 CA B:SER232 4.8 18.0 1.0 OD1 B:ASN311 4.8 16.7 1.0 CB B:SER232 4.8 18.5 1.0 CG B:ASN311 4.9 16.9 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