Magnesium 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:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Quaternary Complex-1 of An Isomerase, PDB code: 3au9:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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 A:Mg601 b:18.9 occ:1.00 O2 A:FOM701 1.9 19.7 1.0 OE1 A:GLU233 2.0 20.2 1.0 OE2 A:GLU315 2.1 19.9 1.0 OD1 A:ASP231 2.1 18.6 1.0 O1 A:FOM701 2.1 21.4 1.0 OE2 A:GLU233 2.7 19.0 1.0 CD A:GLU233 2.7 19.3 1.0 N1 A:FOM701 2.7 21.6 1.0 C1 A:FOM701 2.8 21.7 1.0 CG A:ASP231 3.0 17.5 1.0 CD A:GLU315 3.1 19.3 1.0 OD2 A:ASP231 3.5 18.6 1.0 NZ A:LYS205 3.5 20.2 1.0 OE1 A:GLU315 3.5 21.2 1.0 OG A:SER232 3.9 19.0 1.0 N A:SER232 3.9 16.7 1.0 C2 A:FOM701 4.0 23.5 1.0 CG A:GLU233 4.2 17.8 1.0 C5N A:NDP501 4.2 20.2 1.0 CG A:GLU315 4.2 17.6 1.0 C3 A:FOM701 4.2 24.6 1.0 CB A:ASP231 4.3 17.4 1.0 ND2 A:ASN311 4.3 18.9 1.0 N A:GLU233 4.4 16.0 1.0 C A:ASP231 4.5 17.3 1.0 CA A:ASP231 4.5 17.0 1.0 NZ A:LYS312 4.6 17.6 1.0 CB A:SER232 4.7 17.2 1.0 CA A:SER232 4.7 17.1 1.0 CB A:GLU233 4.8 16.4 1.0 CE A:LYS205 4.9 20.8 1.0 C4N A:NDP501 4.9 20.0 1.0 OD1 A:ASN311 4.9 21.9 1.0 C6N A:NDP501 5.0 20.5 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg602 b:16.3 occ:1.00 O2 B:FOM702 1.9 17.5 1.0 OE2 B:GLU315 2.0 16.2 1.0 OD1 B:ASP231 2.0 15.3 1.0 OE1 B:GLU233 2.1 16.0 1.0 O1 B:FOM702 2.1 17.5 1.0 N1 B:FOM702 2.7 18.9 1.0 CD B:GLU233 2.8 17.9 1.0 OE2 B:GLU233 2.8 20.0 1.0 C1 B:FOM702 2.8 18.0 1.0 CG B:ASP231 3.0 15.8 1.0 CD B:GLU315 3.1 16.8 1.0 NZ B:LYS205 3.4 19.0 1.0 OD2 B:ASP231 3.4 16.1 1.0 OE1 B:GLU315 3.6 19.3 1.0 N B:SER232 4.0 15.1 1.0 C2 B:FOM702 4.0 20.5 1.0 ND2 B:ASN311 4.2 14.3 1.0 OG B:SER232 4.2 16.4 1.0 C3 B:FOM702 4.2 22.9 1.0 C5N B:NDP502 4.2 14.6 1.0 CG B:GLU233 4.2 14.9 1.0 CG B:GLU315 4.2 14.7 1.0 CB B:ASP231 4.2 15.8 1.0 N B:GLU233 4.4 14.4 1.0 C B:ASP231 4.5 15.3 1.0 CA B:ASP231 4.6 15.2 1.0 NZ B:LYS312 4.6 15.5 1.0 CE B:LYS205 4.6 18.3 1.0 CB B:GLU233 4.8 14.2 1.0 CA B:SER232 4.9 15.3 1.0 OD1 B:ASN311 4.9 15.2 1.0 CB B:SER232 5.0 15.4 1.0 C4N B:NDP502 5.0 14.3 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