Magnesium in PDB 6lpi: Crystal Structure of Ahas Holo-Enzyme

All present enzymatic activity of Crystal Structure of Ahas Holo-Enzyme:
2.2.1.6;

The structure of Crystal Structure of Ahas Holo-Enzyme, PDB code: 6lpi was solved by Y.Zhang, X.Yang, Z.Xi, Y.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.93 / 2.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	111.173, 104.577, 118.535, 90.00, 105.68, 90.00
R / Rfree (%)	16.7 / 24.3

The binding sites of Magnesium atom in the Crystal Structure of Ahas Holo-Enzyme (pdb code 6lpi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Ahas Holo-Enzyme, PDB code: 6lpi:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Ahas Holo-Enzyme


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 Ahas Holo-Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:50.3 occ:1.00 O3B A:TPP602 2.0 60.8 1.0 OD1 A:ASN471 2.1 88.8 1.0 OD1 A:ASP444 2.2 73.5 1.0 O2A A:TPP602 2.5 56.1 1.0 CG A:ASN471 2.6 74.2 1.0 ND2 A:ASN471 2.9 81.8 1.0 O A:ALA473 3.2 46.4 1.0 PB A:TPP602 3.2 54.9 1.0 CG A:ASP444 3.3 64.9 1.0 N A:ASP444 3.5 59.0 1.0 O A:MET469 3.6 67.6 1.0 PA A:TPP602 3.6 49.3 1.0 O3A A:TPP602 3.6 48.5 1.0 N A:ASN471 3.7 60.3 1.0 CB A:ASN471 3.8 63.2 1.0 O1B A:TPP602 3.8 40.7 1.0 O A:LEU474 3.9 70.1 1.0 CA A:GLY443 4.0 46.1 1.0 OD2 A:ASP444 4.0 68.4 1.0 C A:GLY443 4.2 49.0 1.0 CA A:ASN471 4.3 65.4 1.0 CB A:ASP444 4.3 58.8 1.0 O1A A:TPP602 4.4 41.7 1.0 O2B A:TPP602 4.4 51.7 1.0 C A:ALA473 4.4 67.0 1.0 CA A:ASP444 4.4 58.9 1.0 N A:GLY445 4.5 47.6 1.0 C A:MET469 4.7 58.1 1.0 CA A:ASN470 4.7 57.3 1.0 C A:ASN470 4.7 59.6 1.0 O7 A:TPP602 4.8 48.6 1.0 N A:ALA473 4.8 61.9 1.0 C A:LEU474 4.8 62.7 1.0 C A:ASN471 4.9 64.1 1.0 N A:GLU472 5.0 55.2 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Ahas Holo-Enzyme


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 Ahas Holo-Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg603 b:52.7 occ:1.00 OD1 B:ASN471 2.0 78.0 1.0 OD1 B:ASP444 2.2 86.1 1.0 O3B B:TPP602 2.4 43.7 1.0 O2A B:TPP602 2.7 47.4 1.0 CG B:ASP444 2.7 77.6 1.0 O B:ALA473 2.8 49.2 1.0 OD2 B:ASP444 3.0 82.9 1.0 CG B:ASN471 3.1 73.9 1.0 N B:ASP444 3.5 48.5 1.0 N B:ASN471 3.6 50.4 1.0 CB B:ASP444 3.7 63.7 1.0 PB B:TPP602 3.7 51.3 1.0 O B:MET469 3.7 58.5 1.0 ND2 B:ASN471 3.8 76.9 1.0 PA B:TPP602 3.9 49.2 1.0 C B:ALA473 4.0 52.0 1.0 O3A B:TPP602 4.0 55.6 1.0 CA B:ASP444 4.2 53.8 1.0 O1B B:TPP602 4.2 57.4 1.0 CB B:ASN471 4.2 71.7 1.0 N B:ALA473 4.3 63.0 1.0 CA B:ASN471 4.3 66.6 1.0 C B:GLY443 4.5 38.6 1.0 CA B:GLY443 4.5 46.7 1.0 N B:GLY475 4.5 53.4 1.0 CA B:ASN470 4.5 49.0 1.0 N B:GLY445 4.5 48.4 1.0 C B:ASN470 4.6 47.0 1.0 N B:GLU472 4.6 66.8 1.0 C B:ASN471 4.6 69.3 1.0 O1A B:TPP602 4.7 39.9 1.0 CA B:ALA473 4.7 52.2 1.0 C B:MET469 4.8 54.2 1.0 C B:ASP444 4.9 51.1 1.0 O2B B:TPP602 4.9 40.5 1.0 O7 B:TPP602 5.0 44.0 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Ahas Holo-Enzyme


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Ahas Holo-Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:56.6 occ:1.00 OD1 C:ASN471 1.7 97.6 1.0 O3B C:TPP602 2.2 54.2 1.0 OD1 C:ASP444 2.2 89.6 1.0 O1A C:TPP602 2.4 55.3 1.0 CG C:ASN471 2.6 88.3 1.0 ND2 C:ASN471 2.9 95.6 1.0 O C:ALA473 3.0 56.6 1.0 PB C:TPP602 3.1 52.7 1.0 O2B C:TPP602 3.3 51.4 1.0 CG C:ASP444 3.4 82.4 1.0 PA C:TPP602 3.5 51.1 1.0 O3A C:TPP602 3.6 63.8 1.0 N C:ASP444 3.7 68.5 1.0 O C:MET469 3.7 49.2 1.0 O C:ASN471 3.8 94.3 1.0 OD2 C:ASP444 4.0 90.0 1.0 N C:ASN471 4.0 66.5 1.0 CB C:ASN471 4.0 75.3 1.0 CA C:GLY443 4.1 56.2 1.0 C C:ALA473 4.2 62.6 1.0 O2A C:TPP602 4.3 57.2 1.0 C C:GLY443 4.4 65.7 1.0 N C:GLY475 4.4 57.9 1.0 C C:ASN471 4.4 78.6 1.0 CA C:ASN471 4.4 67.2 1.0 CB C:ASP444 4.5 77.9 1.0 O1B C:TPP602 4.5 45.4 1.0 CA C:ASP444 4.6 71.6 1.0 O7 C:TPP602 4.7 35.4 1.0 N C:GLY445 4.7 62.9 1.0 C C:MET469 4.9 56.8 1.0 CA C:ASN470 4.9 54.9 1.0 N C:ALA473 4.9 68.3 1.0 C C:ASN470 5.0 65.8 1.0 CA C:GLY475 5.0 52.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Ahas Holo-Enzyme


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Ahas Holo-Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg603 b:64.5 occ:1.00 OD1 D:ASN471 1.9 0.0 1.0 O1B D:TPP602 2.0 63.1 1.0 CG D:ASN471 2.1 0.8 1.0 OD1 D:ASP444 2.4 71.3 1.0 ND2 D:ASN471 2.5 0.8 1.0 O1A D:TPP602 2.6 67.3 1.0 CB D:ASN471 3.2 88.7 1.0 O D:ALA473 3.4 61.4 1.0 PB D:TPP602 3.4 55.0 1.0 N D:ASN471 3.4 73.6 1.0 O D:MET469 3.5 76.7 1.0 CG D:ASP444 3.5 70.9 1.0 N D:ASP444 3.6 60.0 1.0 PA D:TPP602 3.7 63.0 1.0 O3A D:TPP602 3.7 60.3 1.0 CA D:ASN471 3.9 71.7 1.0 CA D:GLY443 4.1 57.4 1.0 O2B D:TPP602 4.2 48.5 1.0 OD2 D:ASP444 4.2 70.7 1.0 C D:GLY443 4.3 58.0 1.0 O3B D:TPP602 4.4 36.4 1.0 C D:ASN470 4.4 69.3 1.0 CB D:ASP444 4.5 73.1 1.0 CA D:ASN470 4.5 60.5 1.0 O2A D:TPP602 4.5 67.3 1.0 C D:ASN471 4.5 64.5 1.0 C D:ALA473 4.5 64.8 1.0 C D:MET469 4.5 69.1 1.0 CA D:ASP444 4.6 70.8 1.0 N D:GLY445 4.6 63.2 1.0 N D:GLU472 4.7 67.3 1.0 N D:ALA473 4.7 69.2 1.0 N D:GLY475 4.8 57.2 1.0 O7 D:TPP602 4.9 58.6 1.0 N D:ASN470 4.9 62.8 1.0

Y.Zhang, Y.Li, X.Liu, J.Sun, X.Li, J.Lin, X.Yang, Z.Xi, Y.Shen. Molecular Architecture of the Acetohydroxyacid Synthase Holoenzyme. Biochem.J. V. 477 2439 2020.
ISSN: ESSN 1470-8728
PubMed: 32538427
DOI: 10.1042/BCJ20200292