Magnesium in PDB 4dbf: Crystal Structures of CG1458

The structure of Crystal Structures of CG1458, PDB code: 4dbf was solved by T.T.Ran, D.Q.Xu, W.W.Wang, Y.Y.Gao, M.T.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	124.120, 124.120, 73.640, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.4

The binding sites of Magnesium atom in the Crystal Structures of CG1458 (pdb code 4dbf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structures of CG1458, PDB code: 4dbf:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structures of CG1458


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of CG1458 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:25.9 occ:1.00 O A:HOH501 2.0 29.0 1.0 O A:HOH503 2.1 23.7 1.0 OE2 A:GLU118 2.1 26.7 1.0 O A:HOH502 2.2 21.1 1.0 OE1 A:GLU116 2.2 27.8 1.0 OD2 A:ASP147 2.2 22.7 1.0 CD A:GLU118 3.2 25.4 1.0 CG A:ASP147 3.2 21.5 1.0 CD A:GLU116 3.3 30.1 1.0 OE1 A:GLU118 3.5 24.4 1.0 CB A:ASP147 3.6 19.9 1.0 NZ A:LYS164 3.6 27.4 1.0 OE2 A:GLU116 3.9 31.6 1.0 OG A:SER238 4.0 24.4 1.0 O A:HOH504 4.1 37.5 1.0 O A:ILE66 4.3 25.4 1.0 OD1 A:ASP147 4.3 22.4 1.0 CG A:GLU116 4.4 28.2 1.0 CB A:GLU116 4.4 23.4 1.0 CZ A:PHE90 4.4 19.1 1.0 CG A:GLU118 4.5 22.2 1.0 O A:HOH505 4.5 24.7 1.0 CA A:GLY237 4.7 22.7 1.0 O A:HOH506 4.7 18.1 1.0 N A:SER238 4.8 22.9 1.0 CE1 A:PHE90 4.8 18.5 1.0 C A:GLY237 4.9 23.0 1.0 CE A:LYS164 4.9 23.3 1.0 CB A:SER238 4.9 21.9 1.0 O A:ASP147 5.0 21.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structures of CG1458


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of CG1458 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:35.7 occ:1.00 OD1 A:ASP10 1.9 36.1 1.0 O A:HOH576 2.0 40.7 1.0 O A:HOH508 2.1 34.3 1.0 O A:HOH509 2.2 34.2 1.0 O A:HOH510 2.2 35.8 1.0 O A:HOH511 2.3 29.6 1.0 CG A:ASP10 3.0 35.8 1.0 OD2 A:ASP10 3.3 38.2 1.0 O A:ASP10 4.1 30.1 1.0 CB A:ASP10 4.3 29.6 1.0 CA A:ASP10 4.6 28.4 1.0 C A:ASP10 4.8 29.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structures of CG1458


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structures of CG1458 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:25.4 occ:1.00 OE2 B:GLU118 2.0 24.7 1.0 OD2 B:ASP147 2.0 26.3 1.0 OE1 B:GLU116 2.1 28.1 1.0 O B:HOH501 2.1 25.2 1.0 O B:HOH502 2.2 21.7 1.0 O B:HOH503 2.2 27.5 1.0 CD B:GLU118 3.1 24.8 1.0 CG B:ASP147 3.1 24.9 1.0 CD B:GLU116 3.3 32.4 1.0 OE1 B:GLU118 3.4 27.5 1.0 CB B:ASP147 3.5 21.5 1.0 NZ B:LYS164 3.8 28.1 1.0 OE2 B:GLU116 4.0 34.0 1.0 OG B:SER238 4.1 26.3 1.0 O B:HOH504 4.2 31.5 1.0 OD1 B:ASP147 4.2 22.3 1.0 CZ B:PHE90 4.3 20.9 1.0 O B:ILE66 4.4 23.0 1.0 CB B:GLU116 4.4 22.9 1.0 CG B:GLU118 4.4 21.7 1.0 CG B:GLU116 4.4 28.2 1.0 O B:HOH505 4.5 18.4 1.0 CE1 B:PHE90 4.7 18.4 1.0 CA B:GLY237 4.7 23.8 1.0 N B:SER238 4.8 23.8 1.0 CE B:LYS164 4.9 24.7 1.0 O B:ASP147 4.9 22.1 1.0 O B:HOH506 5.0 20.5 1.0 C B:GLY237 5.0 24.0 1.0 CA B:ASP147 5.0 20.6 1.0

T.Ran, Y.Gao, M.Marsh, W.Zhu, M.Wang, X.Mao, L.Xu, D.Xu, W.Wang. Crystal Structures of CG1458 Reveal A Catalytic Lid Domain and A Common Catalytic Mechanism For Fah Family. Biochem.J. V. 449 51 2013.
ISSN: ISSN 0264-6021
PubMed: 23046410
DOI: 10.1042/BJ20120913