Magnesium in PDB 4d5g: Structure of Recombinant Cdh-H28AN484A

All present enzymatic activity of Structure of Recombinant Cdh-H28AN484A:
3.7.1.11;

The structure of Structure of Recombinant Cdh-H28AN484A, PDB code: 4d5g was solved by S.Loschonsky, T.Wacker, S.Waltzer, P.P.Giovannini, M.J.Mcleish, S.L.A.Andrade, M.Mueller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.63 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	122.835, 122.835, 143.011, 90.00, 90.00, 90.00
R / Rfree (%)	13.392 / 17.86

The binding sites of Magnesium atom in the Structure of Recombinant Cdh-H28AN484A (pdb code 4d5g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of Recombinant Cdh-H28AN484A, PDB code: 4d5g:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure of Recombinant Cdh-H28AN484A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Recombinant Cdh-H28AN484A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1590 b:9.0 occ:1.00 O1A A:TPP1589 2.1 13.4 1.0 O A:SER480 2.1 11.6 1.0 OD1 A:ASP451 2.2 12.5 1.0 O3B A:TPP1589 2.2 12.8 1.0 OD1 A:ASN478 2.2 14.4 1.0 O A:HOH2279 2.3 12.6 1.0 CG A:ASN478 3.1 14.4 1.0 PA A:TPP1589 3.3 13.1 1.0 C A:SER480 3.3 13.7 1.0 CG A:ASP451 3.4 12.6 1.0 ND2 A:ASN478 3.4 15.0 1.0 PB A:TPP1589 3.5 13.6 1.0 O3A A:TPP1589 3.5 14.3 1.0 OD2 A:ASP451 4.0 12.5 1.0 N A:ASP451 4.0 12.6 1.0 N A:GLY482 4.0 12.2 1.0 N A:SER480 4.1 14.0 1.0 O7 A:TPP1589 4.1 13.5 1.0 N A:GLY452 4.2 11.9 1.0 O2B A:TPP1589 4.3 13.0 1.0 CA A:SER480 4.3 14.2 1.0 N A:TYR481 4.3 12.8 1.0 O A:PHE476 4.4 14.4 1.0 O2A A:TPP1589 4.4 12.4 1.0 O A:HOH2294 4.4 19.2 1.0 CA A:TYR481 4.5 12.5 1.0 N A:ASN478 4.5 15.4 1.0 CB A:ASN478 4.5 14.6 1.0 CB A:ASP451 4.5 12.3 1.0 O1B A:TPP1589 4.6 12.0 1.0 CZ A:PHE500 4.6 14.9 1.0 CA A:ASP451 4.7 12.2 1.0 CA A:GLY450 4.7 12.5 1.0 CB A:SER480 4.8 16.4 1.0 C A:TYR481 4.8 12.4 1.0 C A:GLY450 4.9 12.5 1.0 CA A:GLY482 4.9 13.2 1.0 N A:GLU479 4.9 15.8 1.0 CA A:ASN478 4.9 14.2 1.0 C A:ASP451 5.0 12.7 1.0 C A:ASN478 5.0 14.9 1.0

Magnesium binding site 2 out of 3 in the Structure of Recombinant Cdh-H28AN484A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Recombinant Cdh-H28AN484A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1600 b:32.2 occ:1.00 O A:HOH2009 2.2 21.5 1.0 O4 A:PG41598 2.3 40.3 1.0 O2 A:PG41598 2.5 34.3 1.0 O A:HOH2359 2.5 35.7 1.0 O3 A:PG41598 2.6 31.9 1.0 O5 A:PG41598 3.1 49.5 1.0 O1 A:PG41598 3.1 34.8 1.0 C7 A:PG41598 3.2 39.9 1.0 C8 A:PG41598 3.2 44.0 1.0 C6 A:PG41598 3.3 32.8 1.0 C1 A:PG41598 3.3 32.6 1.0 C5 A:PG41598 3.3 33.4 1.0 C2 A:PG41598 3.4 33.0 1.0 C3 A:PG41598 3.5 33.4 1.0 C4 A:PG41598 3.5 31.6 1.0 O A:GLU15 4.4 17.2 1.0

Magnesium binding site 3 out of 3 in the Structure of Recombinant Cdh-H28AN484A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Recombinant Cdh-H28AN484A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1591 b:9.3 occ:1.00 OD1 B:ASN478 2.1 15.8 1.0 O1A B:TPP1590 2.1 13.8 1.0 OD1 B:ASP451 2.2 14.7 1.0 O B:SER480 2.2 14.6 1.0 O3B B:TPP1590 2.2 13.3 1.0 O B:HOH2179 2.3 16.7 1.0 CG B:ASN478 3.0 14.9 1.0 ND2 B:ASN478 3.3 14.5 1.0 CG B:ASP451 3.3 16.2 1.0 C B:SER480 3.4 14.8 1.0 PA B:TPP1590 3.4 14.0 1.0 PB B:TPP1590 3.4 14.4 1.0 O3A B:TPP1590 3.6 14.2 1.0 OD2 B:ASP451 3.9 13.9 1.0 N B:GLY482 4.0 13.2 1.0 N B:ASP451 4.0 13.7 1.0 N B:SER480 4.1 16.2 1.0 O7 B:TPP1590 4.2 14.1 1.0 CA B:SER480 4.2 16.1 0.5 N B:GLY452 4.2 12.3 1.0 CA B:SER480 4.3 15.3 0.5 O B:PHE476 4.3 13.4 1.0 N B:TYR481 4.3 15.1 1.0 O2B B:TPP1590 4.3 14.4 1.0 O B:HOH2185 4.3 16.1 1.0 CB B:ASN478 4.4 15.6 1.0 N B:ASN478 4.5 15.7 1.0 CA B:TYR481 4.5 13.9 1.0 CB B:SER480 4.5 16.5 0.5 O1B B:TPP1590 4.5 13.0 1.0 O2A B:TPP1590 4.6 13.3 1.0 CB B:ASP451 4.6 14.3 1.0 CA B:ASP451 4.7 13.2 1.0 CZ B:PHE500 4.7 13.8 1.0 CA B:GLY450 4.7 12.6 1.0 CB B:SER480 4.8 15.0 0.5 CA B:GLY482 4.8 14.4 1.0 C B:TYR481 4.8 13.8 1.0 CA B:ASN478 4.8 15.6 1.0 C B:GLY450 4.9 13.2 1.0 N B:GLU479 4.9 18.5 1.0 C B:ASN478 4.9 17.1 1.0

S.Loschonsky, T.Wacker, S.Waltzer, P.P.Giovannini, M.J.Mcleish, S.L.A.Andrade, M.Mueller. Extended Reaction Scope of Thiamine Diphosphate Dependent Cyclohexane-1,2-Dione Hydrolase: From C- C Bond Cleavage to C-C Bond Ligation To Be Published.