Magnesium in PDB 7mya: Structure of Proline Utilization A with the Fad Covalently-Modified By 1,3-Dithiolane

All present enzymatic activity of Structure of Proline Utilization A with the Fad Covalently-Modified By 1,3-Dithiolane:
1.2.1.88; 1.5.5.2;

The structure of Structure of Proline Utilization A with the Fad Covalently-Modified By 1,3-Dithiolane, PDB code: 7mya was solved by J.J.Tanner, A.C.Campbell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.94 / 1.56
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	101.176, 101.884, 125.931, 90, 106.49, 90
R / Rfree (%)	17.5 / 20.4

The binding sites of Magnesium atom in the Structure of Proline Utilization A with the Fad Covalently-Modified By 1,3-Dithiolane (pdb code 7mya). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Proline Utilization A with the Fad Covalently-Modified By 1,3-Dithiolane, PDB code: 7mya:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Proline Utilization A with the Fad Covalently-Modified By 1,3-Dithiolane


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Proline Utilization A with the Fad Covalently-Modified By 1,3-Dithiolane within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1302 b:32.6 occ:1.00 O A:HOH1450 1.9 31.9 1.0 O A:HOH1427 2.0 31.8 1.0 O2A A:NAD1303 2.1 26.1 1.0 O A:HOH1640 2.2 31.0 1.0 O A:HOH2187 2.3 38.9 1.0 PA A:NAD1303 3.4 27.0 1.0 O A:HOH1839 3.6 30.8 1.0 O1N A:NAD1303 3.7 30.4 1.0 O5B A:NAD1303 3.8 25.1 1.0 O A:HOH2293 4.3 34.4 1.0 O3 A:NAD1303 4.3 25.4 1.0 OE1 A:GLU734 4.4 35.5 1.0 OE2 A:GLU733 4.4 29.3 1.0 PN A:NAD1303 4.4 29.3 1.0 O1A A:NAD1303 4.5 20.5 1.0 O2N A:NAD1303 4.6 25.9 1.0

Magnesium binding site 2 out of 2 in the Structure of Proline Utilization A with the Fad Covalently-Modified By 1,3-Dithiolane


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Proline Utilization A with the Fad Covalently-Modified By 1,3-Dithiolane within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1302 b:27.9 occ:1.00 O B:HOH2614 1.9 25.0 1.0 O B:HOH2853 2.0 28.4 1.0 O2A B:NAD1303 2.1 17.1 1.0 O B:HOH3205 2.2 36.0 1.0 O B:HOH2824 2.2 39.9 1.0 O B:HOH2837 2.4 36.6 1.0 O B:HOH2709 3.3 19.8 1.0 PA B:NAD1303 3.4 17.4 1.0 O5B B:NAD1303 3.8 16.3 1.0 O1N B:NAD1303 3.8 17.4 1.0 OE2 B:GLU733 4.2 24.4 1.0 OE1 B:GLU734 4.3 24.4 1.0 O3 B:NAD1303 4.3 16.4 1.0 PN B:NAD1303 4.4 17.0 1.0 O2N B:NAD1303 4.5 16.1 1.0 O1A B:NAD1303 4.5 15.3 1.0 O B:HOH3245 4.6 32.3 1.0 CD B:GLU733 4.9 26.7 1.0

A.C.Campbell, A.R.Prater, A.N.Bogner, T.P.Quinn, K.S.Gates, D.F.Becker, J.J.Tanner. Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase By S-Heterocycles. Acs Chem.Biol. 2021.
ISSN: ESSN 1554-8937
PubMed: 34542291
DOI: 10.1021/ACSCHEMBIO.1C00427