Magnesium in PDB 6xn8: Crystal Structure of 2-Hydroxyacyl Coa Lyase (Hacl) From Rhodospirillales Bacterium URHD0017

The structure of Crystal Structure of 2-Hydroxyacyl Coa Lyase (Hacl) From Rhodospirillales Bacterium URHD0017, PDB code: 6xn8 was solved by M.D.Miller, W.Xu, J.L.Olmos Jr., A.Chou, J.M.Clomburg, R.Gonzalez, G.N.Philips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.47 / 1.95
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.94, 64.431, 182.693, 90, 90.88, 90
R / Rfree (%)	18.6 / 21.2

The binding sites of Magnesium atom in the Crystal Structure of 2-Hydroxyacyl Coa Lyase (Hacl) From Rhodospirillales Bacterium URHD0017 (pdb code 6xn8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of 2-Hydroxyacyl Coa Lyase (Hacl) From Rhodospirillales Bacterium URHD0017, PDB code: 6xn8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of 2-Hydroxyacyl Coa Lyase (Hacl) From Rhodospirillales Bacterium URHD0017


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of 2-Hydroxyacyl Coa Lyase (Hacl) From Rhodospirillales Bacterium URHD0017 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:7.3 occ:1.00 O22 A:TZD602 2.0 8.3 1.0 OD1 A:ASP441 2.0 6.7 1.0 O13 A:TZD602 2.1 8.2 1.0 OD1 A:ASN468 2.1 8.9 1.0 O A:HOH758 2.1 7.4 1.0 O A:GLY470 2.3 9.5 1.0 CG A:ASN468 3.0 10.5 1.0 H A:ASP441 3.1 9.5 1.0 HD21 A:ASN468 3.1 15.5 1.0 P1 A:TZD602 3.2 8.7 1.0 CG A:ASP441 3.2 6.7 1.0 P2 A:TZD602 3.2 8.0 1.0 H A:GLY470 3.2 12.0 1.0 H A:ASN468 3.4 10.5 1.0 O11 A:TZD602 3.4 8.1 1.0 H A:SER442 3.4 8.9 1.0 ND2 A:ASN468 3.5 12.8 1.0 C A:GLY470 3.5 10.5 1.0 H A:GLY472 3.5 14.1 1.0 OD2 A:ASP441 3.7 7.6 1.0 N A:ASP441 3.8 7.8 1.0 O5G A:TZD602 3.8 9.4 1.0 O23 A:TZD602 3.8 12.9 1.0 N A:GLY470 4.0 9.9 1.0 HA3 A:GLY440 4.1 8.9 1.0 N A:GLY472 4.1 11.7 1.0 N A:SER442 4.2 7.3 1.0 N A:ASN468 4.2 8.7 1.0 O A:GLY472 4.2 12.2 1.0 HA A:ILE471 4.2 11.6 1.0 HD22 A:ASN468 4.3 15.5 1.0 CB A:ASN468 4.4 11.9 1.0 O A:LEU466 4.4 10.3 1.0 CB A:ASP441 4.4 7.7 1.0 CA A:GLY470 4.4 9.3 1.0 HB2 A:SER442 4.4 9.5 1.0 O21 A:TZD602 4.5 11.2 1.0 HB3 A:SER442 4.5 9.5 1.0 H A:GLY469 4.5 13.6 1.0 O12 A:TZD602 4.5 7.8 1.0 HA2 A:GLY440 4.5 8.9 1.0 N A:ILE471 4.5 9.0 1.0 CA A:ASP441 4.5 6.1 1.0 HH A:TYR367 4.5 15.8 1.0 HA2 A:GLY472 4.6 14.0 1.0 CA A:GLY440 4.6 7.3 1.0 HA A:ASN467 4.6 11.2 1.0 CA A:ASN468 4.6 11.6 1.0 C A:GLY472 4.6 12.7 1.0 C A:GLY440 4.6 7.5 1.0 N A:GLY469 4.7 11.2 1.0 HB3 A:ASP441 4.7 9.3 1.0 CA A:GLY472 4.7 11.6 1.0 C A:ASN468 4.7 11.6 1.0 CA A:ILE471 4.7 9.6 1.0 HB3 A:ASN468 4.8 14.4 1.0 CB A:SER442 4.9 7.9 1.0 C A:ASP441 4.9 6.6 1.0 C A:ILE471 4.9 10.5 1.0 HA2 A:GLY470 4.9 11.2 1.0 HG1 A:THR391 5.0 12.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of 2-Hydroxyacyl Coa Lyase (Hacl) From Rhodospirillales Bacterium URHD0017


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of 2-Hydroxyacyl Coa Lyase (Hacl) From Rhodospirillales Bacterium URHD0017 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:11.0 occ:1.00 O21 B:TZD602 1.9 11.2 1.0 O13 B:TZD602 2.0 9.8 1.0 OD1 B:ASN468 2.1 12.0 1.0 OD1 B:ASP441 2.2 15.0 1.0 O B:GLY470 2.3 10.2 1.0 O B:HOH722 2.4 10.8 1.0 HD21 B:ASN468 3.0 19.1 1.0 P1 B:TZD602 3.0 10.2 1.0 CG B:ASN468 3.0 13.7 1.0 P2 B:TZD602 3.1 13.8 1.0 H B:ASP441 3.2 14.7 1.0 O11 B:TZD602 3.2 13.5 1.0 H B:GLY470 3.3 12.9 1.0 CG B:ASP441 3.3 11.8 1.0 ND2 B:ASN468 3.4 15.8 1.0 H B:GLY472 3.4 16.9 1.0 H B:SER442 3.5 11.8 1.0 H B:ASN468 3.5 14.6 1.0 C B:GLY470 3.5 10.8 1.0 O5G B:TZD602 3.7 9.7 1.0 O23 B:TZD602 3.7 15.3 1.0 OD2 B:ASP441 3.9 11.0 1.0 N B:ASP441 3.9 12.1 1.0 N B:GLY470 4.1 10.7 1.0 N B:GLY472 4.1 14.0 1.0 HA3 B:GLY440 4.1 12.2 1.0 HA B:ILE471 4.1 11.4 1.0 O B:GLY472 4.1 10.9 1.0 HD22 B:ASN468 4.2 19.1 1.0 N B:SER442 4.3 9.8 1.0 O22 B:TZD602 4.3 14.1 1.0 N B:ASN468 4.3 12.1 1.0 CA B:GLY470 4.4 13.6 1.0 CB B:ASN468 4.4 13.5 1.0 O12 B:TZD602 4.4 10.1 1.0 O B:LEU466 4.4 13.4 1.0 HB3 B:SER442 4.4 12.8 1.0 HB2 B:SER442 4.5 12.8 1.0 N B:ILE471 4.5 7.6 1.0 HA2 B:GLY472 4.5 14.7 1.0 CB B:ASP441 4.5 10.2 1.0 HA2 B:GLY440 4.6 12.2 1.0 C B:GLY472 4.6 14.9 1.0 H B:GLY469 4.6 14.7 1.0 HH B:TYR367 4.6 21.3 1.0 CA B:GLY472 4.6 12.2 1.0 CA B:GLY440 4.7 10.1 1.0 CA B:ILE471 4.7 9.4 1.0 CA B:ASP441 4.7 10.7 1.0 CA B:ASN468 4.7 15.4 1.0 C B:GLY440 4.7 10.5 1.0 HA B:ASN467 4.8 16.4 1.0 N B:GLY469 4.8 12.2 1.0 HB3 B:ASN468 4.8 16.3 1.0 HG1 B:THR391 4.8 16.9 1.0 C B:ASN468 4.8 12.7 1.0 CB B:SER442 4.8 10.6 1.0 C B:ILE471 4.9 12.0 1.0 HB3 B:ASP441 4.9 12.3 1.0 HA2 B:GLY470 4.9 16.4 1.0 C B:ASP441 5.0 11.2 1.0

A.Chou, M.D.Miller, J.L.Olmos Jr., W.Xu, J.M.Clomburg, R.Gonzalez, G.N.Philips Jr.. Crystal Structure of 2-Hydroxyacyl Coa Lyase (Hacl) From Rhodospirillales Bacterium URHD0017 To Be Published.