Magnesium in PDB 2pgn: The Crystal Structure of Fad and Thdp-Dependent Cyclohexane-1,2-Dione Hydrolase in Complex with Cyclohexane-1,2-Dione

The structure of The Crystal Structure of Fad and Thdp-Dependent Cyclohexane-1,2-Dione Hydrolase in Complex with Cyclohexane-1,2-Dione, PDB code: 2pgn was solved by S.Fraas, E.Warkentin, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	123.600, 123.600, 144.300, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 17.6

The binding sites of Magnesium atom in the The Crystal Structure of Fad and Thdp-Dependent Cyclohexane-1,2-Dione Hydrolase in Complex with Cyclohexane-1,2-Dione (pdb code 2pgn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of Fad and Thdp-Dependent Cyclohexane-1,2-Dione Hydrolase in Complex with Cyclohexane-1,2-Dione, PDB code: 2pgn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Crystal Structure of Fad and Thdp-Dependent Cyclohexane-1,2-Dione Hydrolase in Complex with Cyclohexane-1,2-Dione


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Fad and Thdp-Dependent Cyclohexane-1,2-Dione Hydrolase in Complex with Cyclohexane-1,2-Dione within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg610 b:8.4 occ:1.00 O1A A:TPP614 2.1 10.3 1.0 O3B A:TPP614 2.2 10.5 1.0 OD1 A:ASN478 2.2 11.5 1.0 O A:HOH1768 2.2 11.8 1.0 O A:SER480 2.2 10.4 1.0 OD2 A:ASP451 2.2 10.4 1.0 CG A:ASN478 3.1 11.4 1.0 CG A:ASP451 3.4 10.9 1.0 PA A:TPP614 3.4 9.4 1.0 C A:SER480 3.4 10.8 1.0 PB A:TPP614 3.4 9.3 1.0 ND2 A:ASN478 3.5 11.2 1.0 O3A A:TPP614 3.6 9.5 1.0 OD1 A:ASP451 3.9 11.6 1.0 N A:GLY482 4.0 10.2 1.0 N A:ASP451 4.1 10.4 1.0 O7 A:TPP614 4.1 9.9 1.0 N A:SER480 4.2 10.9 1.0 N A:GLY452 4.3 9.3 1.0 O2B A:TPP614 4.3 9.6 1.0 CA A:SER480 4.3 11.1 1.0 N A:TYR481 4.3 10.1 1.0 O A:HOH1670 4.4 13.9 1.0 O A:PHE476 4.4 11.2 1.0 CA A:TYR481 4.5 9.7 1.0 N A:ASN478 4.5 11.5 1.0 CB A:ASN478 4.5 12.6 1.0 O1B A:TPP614 4.5 10.1 1.0 OG A:SER480 4.5 15.2 0.6 O2A A:TPP614 4.5 10.1 1.0 CB A:ASP451 4.6 9.6 1.0 CA A:ASP451 4.7 9.7 1.0 CZ A:PHE500 4.7 12.7 1.0 CB A:SER480 4.7 11.2 0.4 CA A:GLY450 4.8 8.9 1.0 C A:TYR481 4.8 10.2 1.0 CA A:ASN478 4.8 12.2 1.0 CA A:GLY482 4.9 9.9 1.0 C A:GLY450 4.9 8.8 1.0 C A:ASN478 5.0 11.3 1.0 N A:GLU479 5.0 10.8 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of Fad and Thdp-Dependent Cyclohexane-1,2-Dione Hydrolase in Complex with Cyclohexane-1,2-Dione


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of Fad and Thdp-Dependent Cyclohexane-1,2-Dione Hydrolase in Complex with Cyclohexane-1,2-Dione within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg611 b:7.4 occ:1.00 O1A B:TPP615 2.1 9.0 1.0 OD2 B:ASP451 2.1 9.4 1.0 O B:SER480 2.2 8.1 1.0 O B:HOH845 2.2 10.1 1.0 OD1 B:ASN478 2.2 9.2 1.0 O3B B:TPP615 2.2 8.2 1.0 CG B:ASN478 3.1 9.4 1.0 CG B:ASP451 3.3 9.0 1.0 PA B:TPP615 3.3 8.1 1.0 C B:SER480 3.4 8.5 1.0 ND2 B:ASN478 3.4 11.3 1.0 PB B:TPP615 3.4 7.8 1.0 O3A B:TPP615 3.6 8.1 1.0 OD1 B:ASP451 3.9 9.9 1.0 N B:ASP451 4.1 9.2 1.0 N B:GLY482 4.1 7.8 1.0 O7 B:TPP615 4.1 8.3 1.0 N B:SER480 4.2 9.3 1.0 O2B B:TPP615 4.3 8.6 1.0 N B:GLY452 4.3 7.8 1.0 CA B:SER480 4.3 9.2 1.0 N B:TYR481 4.4 7.9 1.0 O B:PHE476 4.4 10.2 1.0 O B:HOH708 4.4 13.8 1.0 N B:ASN478 4.4 9.4 1.0 CB B:ASN478 4.5 10.8 1.0 O2A B:TPP615 4.5 8.8 1.0 CA B:TYR481 4.5 7.9 1.0 CB B:ASP451 4.6 8.1 1.0 O1B B:TPP615 4.6 8.9 1.0 CA B:ASP451 4.7 7.7 1.0 CZ B:PHE500 4.7 10.8 1.0 CA B:GLY450 4.7 8.7 1.0 CA B:ASN478 4.8 9.4 1.0 CB B:SER480 4.8 10.7 1.0 C B:TYR481 4.9 7.9 1.0 C B:GLY450 4.9 7.1 1.0 CA B:GLY482 4.9 8.6 1.0 N B:GLU479 4.9 8.6 1.0 C B:ASN478 5.0 8.2 1.0

S.Fraas, A.K.Steinbach, E.Warkentin, P.M.H.Kroneck, U.Ermler. The Crystal Structure of Fad and Thdp-Dependent Cyclohexane-1,2-Dione Hydrolase in Complex with Cyclohexane-1,2-Dione To Be Published.