Magnesium in PDB 2pgo: The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN

The structure of The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN, PDB code: 2pgo was solved by A.K.Steinbach, E.Warkentin, P.M.H.Kroneck, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 1.26
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 (%)	9.7 / 12

The structure of The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN (pdb code 2pgo). 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 (Cdh) From Azoarcus Sp. Strain 22LIN, PDB code: 2pgo:
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 (Cdh) From Azoarcus Sp. Strain 22LIN


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 (Cdh) From Azoarcus Sp. Strain 22LIN within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg608 b:3.8 occ:1.00 O1A A:TPP614 2.1 4.9 1.0 OD1 A:ASN478 2.1 6.4 1.0 OD2 A:ASP451 2.2 5.5 1.0 O A:SER480 2.2 5.5 1.0 O3B A:TPP614 2.2 5.4 1.0 O A:HOH711 2.2 7.0 1.0 CG A:ASN478 3.1 6.5 1.0 CG A:ASP451 3.3 6.0 1.0 PA A:TPP614 3.3 4.7 1.0 C A:SER480 3.4 5.8 1.0 ND2 A:ASN478 3.4 7.3 1.0 PB A:TPP614 3.4 4.9 1.0 O3A A:TPP614 3.6 4.7 1.0 OD1 A:ASP451 3.9 6.4 1.0 N A:GLY482 4.0 4.8 1.0 N A:ASP451 4.1 5.0 1.0 O7 A:TPP614 4.1 4.6 1.0 N A:SER480 4.1 6.4 1.0 N A:GLY452 4.2 4.6 1.0 O2B A:TPP614 4.3 5.2 1.0 CA A:SER480 4.3 6.3 1.0 N A:TYR481 4.3 5.1 1.0 O A:HOH692 4.4 8.1 1.0 O A:PHE476 4.4 6.1 1.0 N A:ASN478 4.5 5.9 1.0 CB A:ASN478 4.5 7.0 1.0 CA A:TYR481 4.5 4.3 1.0 O2A A:TPP614 4.5 4.8 1.0 CB A:ASP451 4.5 5.9 1.0 O1B A:TPP614 4.6 5.2 1.0 OG A:SER480 4.6 7.6 0.7 CA A:ASP451 4.7 5.3 1.0 CA A:GLY450 4.7 5.1 1.0 CZ A:PHE500 4.8 6.9 1.0 C A:TYR481 4.8 4.6 1.0 CA A:ASN478 4.8 6.9 1.0 CA A:GLY482 4.8 5.1 1.0 CB A:SER480 4.9 6.2 0.3 C A:GLY450 4.9 4.9 1.0 C A:ASN478 4.9 7.0 1.0 N A:GLU479 5.0 6.3 1.0 C A:ASP451 5.0 4.5 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN


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 (Cdh) From Azoarcus Sp. Strain 22LIN within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg609 b:3.0 occ:1.00 O1A B:TPP615 2.1 4.7 1.0 OD2 B:ASP451 2.1 5.0 1.0 O B:SER480 2.2 4.6 1.0 OD1 B:ASN478 2.2 5.4 1.0 O3B B:TPP615 2.2 4.5 1.0 O B:HOH721 2.2 5.9 1.0 CG B:ASN478 3.1 5.0 1.0 CG B:ASP451 3.3 5.0 1.0 PA B:TPP615 3.3 4.1 1.0 C B:SER480 3.4 4.7 1.0 PB B:TPP615 3.4 4.2 1.0 ND2 B:ASN478 3.5 5.8 1.0 O3A B:TPP615 3.6 4.2 1.0 OD1 B:ASP451 3.9 5.4 1.0 N B:GLY482 4.0 3.8 1.0 N B:ASP451 4.0 4.4 1.0 O7 B:TPP615 4.1 4.3 1.0 N B:SER480 4.2 5.2 1.0 N B:GLY452 4.2 4.0 1.0 O2B B:TPP615 4.3 4.6 1.0 CA B:SER480 4.3 4.8 1.0 N B:TYR481 4.3 4.0 1.0 O B:HOH645 4.4 7.0 1.0 O B:PHE476 4.4 5.3 1.0 N B:ASN478 4.4 4.9 1.0 CB B:ASN478 4.5 5.7 1.0 O2A B:TPP615 4.5 4.2 1.0 CA B:TYR481 4.5 3.9 1.0 CB B:ASP451 4.5 4.8 1.0 O1B B:TPP615 4.6 4.4 1.0 CA B:ASP451 4.7 4.2 1.0 CA B:GLY450 4.7 5.1 1.0 CZ B:PHE500 4.7 6.0 1.0 CB B:SER480 4.8 7.2 1.0 CA B:ASN478 4.8 5.2 1.0 C B:TYR481 4.8 4.0 1.0 C B:GLY450 4.8 4.3 1.0 CA B:GLY482 4.9 4.5 1.0 N B:GLU479 4.9 4.7 1.0 C B:ASN478 5.0 4.7 1.0 C B:ASP451 5.0 4.3 1.0

A.K.Steinbach, J.Harder, E.Warkentin, P.M.H.Kroneck, U.Ermler. The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN To Be Published.