Magnesium in PDB 6u9d: Saccharomyces Cerevisiae Acetohydroxyacid Synthase

All present enzymatic activity of Saccharomyces Cerevisiae Acetohydroxyacid Synthase:
2.2.1.6;

The structure of Saccharomyces Cerevisiae Acetohydroxyacid Synthase, PDB code: 6u9d was solved by L.W.Guddat, T.Lonhienne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.11 / 3.19
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	368.647, 230.307, 183.532, 90.00, 94.57, 90.00
R / Rfree (%)	20.5 / 25.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Magnesium atom in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase (pdb code 6u9d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 16 binding sites of Magnesium where determined in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase, PDB code: 6u9d:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:19.6 occ:1.00 O3B A:TPP701 2.0 40.2 1.0 OD1 A:ASP550 2.1 46.1 1.0 O2A A:TPP701 2.2 41.2 1.0 OD1 A:ASN577 2.4 45.2 1.0 PB A:TPP701 2.9 43.1 1.0 O A:GLU579 2.9 36.2 1.0 CG A:ASN577 3.1 38.4 1.0 ND2 A:ASN577 3.2 38.1 1.0 O2B A:TPP701 3.2 22.0 1.0 PA A:TPP701 3.2 48.1 1.0 CG A:ASP550 3.3 39.3 1.0 O3A A:TPP701 3.3 68.9 1.0 N A:ASP550 3.8 48.0 1.0 OD2 A:ASP550 3.9 40.6 1.0 O7 A:TPP701 4.0 77.4 1.0 C A:GLU579 4.1 40.8 1.0 O A:LEU575 4.1 52.1 1.0 N A:GLY581 4.3 67.9 1.0 O1B A:TPP701 4.3 28.7 1.0 N A:ALA551 4.3 51.9 1.0 CB A:ASP550 4.4 38.1 1.0 CA A:GLY549 4.4 37.4 1.0 O1A A:TPP701 4.4 41.4 1.0 N A:ASN577 4.5 38.7 1.0 C A:GLY549 4.5 34.3 1.0 CB A:ASN577 4.6 40.0 1.0 CA A:ASP550 4.6 41.0 1.0 N A:GLU579 4.7 38.6 1.0 CA A:GLN580 4.8 36.0 1.0 N A:GLN580 4.9 45.2 1.0 CB A:ALA551 4.9 49.4 1.0 ND1 A:HIS500 5.0 49.2 1.0

Magnesium binding site 2 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:30.1 occ:1.00 O3B B:TPP701 2.0 39.8 1.0 OD1 B:ASP550 2.1 64.0 1.0 OD1 B:ASN577 2.2 56.0 1.0 O2A B:TPP701 2.3 31.8 1.0 CG B:ASN577 2.9 46.6 1.0 O B:GLU579 3.0 43.9 1.0 PB B:TPP701 3.0 36.7 1.0 ND2 B:ASN577 3.0 34.6 1.0 CG B:ASP550 3.3 52.5 1.0 PA B:TPP701 3.4 44.7 1.0 O3A B:TPP701 3.4 65.6 1.0 O2B B:TPP701 3.4 45.0 1.0 N B:ASP550 3.7 35.5 1.0 O B:LEU575 3.9 32.2 1.0 OD2 B:ASP550 3.9 55.4 1.0 C B:GLU579 4.2 52.7 1.0 O7 B:TPP701 4.2 52.9 1.0 N B:ASN577 4.3 37.6 1.0 CA B:GLY549 4.3 28.7 1.0 O1B B:TPP701 4.3 39.9 1.0 CB B:ASN577 4.3 39.7 1.0 CB B:ASP550 4.4 42.5 1.0 N B:GLY581 4.4 56.9 1.0 N B:ALA551 4.4 49.5 1.0 C B:GLY549 4.5 28.5 1.0 O1A B:TPP701 4.5 49.9 1.0 CA B:ASP550 4.6 44.4 1.0 N B:GLU579 4.7 48.8 1.0 CA B:ASN577 4.8 42.8 1.0

Magnesium binding site 3 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg402 b:61.7 occ:1.00 O2B C:ATP401 2.1 80.5 1.0 O3A P:ATP401 2.1 24.8 1.0 O1B P:ATP401 2.2 0.4 1.0 O3A C:ATP401 2.4 25.0 1.0 PB P:ATP401 2.6 61.1 1.0 PB C:ATP401 2.6 67.9 1.0 NH1 C:ARG254 2.7 65.6 1.0 NH1 P:ARG254 2.8 59.8 1.0 O3G C:ATP401 2.9 82.6 1.0 O1G P:ATP401 3.0 68.6 1.0 O3B C:ATP401 3.4 17.8 1.0 O3B P:ATP401 3.6 70.8 1.0 PA P:ATP401 3.7 57.7 1.0 PG C:ATP401 3.7 86.8 1.0 O2B P:ATP401 3.9 57.6 1.0 PG P:ATP401 3.9 72.0 1.0 PA C:ATP401 3.9 56.8 1.0 CZ C:ARG254 4.0 66.6 1.0 O1B C:ATP401 4.0 16.4 1.0 CZ P:ARG254 4.1 49.8 1.0 NZ C:LYS251 4.2 39.0 1.0 O5' P:ATP401 4.2 33.1 1.0 O2A P:ATP401 4.3 70.6 1.0 O5' C:ATP401 4.3 27.5 1.0 O1G C:ATP401 4.3 94.0 1.0 NZ P:LYS251 4.3 56.8 1.0 O2G P:ATP401 4.4 67.9 1.0 O2A C:ATP401 4.6 51.4 1.0 NH2 C:ARG254 4.7 82.0 1.0 O1A P:ATP401 4.7 55.8 1.0 NE P:ARG254 4.9 37.6 1.0 O1A C:ATP401 4.9 56.1 1.0 CE P:LYS251 4.9 36.7 1.0 CE C:LYS251 4.9 37.6 1.0 NE C:ARG254 4.9 53.6 1.0 O2G C:ATP401 4.9 86.2 1.0

Magnesium binding site 4 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg402 b:41.0 occ:1.00 O3A G:ATP401 2.1 27.3 1.0 O1G G:ATP401 2.3 79.8 1.0 O1B G:ATP401 2.3 0.2 1.0 O1B D:ATP401 2.5 85.8 1.0 O3A D:ATP401 2.5 82.2 1.0 NH1 G:ARG254 2.6 91.4 1.0 PB G:ATP401 2.6 52.5 1.0 O2G D:ATP401 2.8 84.5 1.0 PB D:ATP401 3.0 56.7 1.0 O3B G:ATP401 3.3 61.2 1.0 PG G:ATP401 3.3 82.5 1.0 NH1 D:ARG254 3.4 60.6 1.0 PA G:ATP401 3.6 59.8 1.0 PG D:ATP401 3.8 79.0 1.0 O3B D:ATP401 3.8 55.5 1.0 CZ G:ARG254 3.9 79.8 1.0 PA D:ATP401 3.9 81.5 1.0 O2B G:ATP401 4.0 42.5 1.0 O5' G:ATP401 4.0 35.8 1.0 O2G G:ATP401 4.1 81.8 1.0 O1A G:ATP401 4.2 69.6 1.0 O2A D:ATP401 4.3 72.5 1.0 O2B D:ATP401 4.3 54.4 1.0 O3G D:ATP401 4.3 65.0 1.0 NZ G:LYS251 4.3 77.9 1.0 NZ D:LYS251 4.5 67.4 1.0 O3G G:ATP401 4.5 84.3 1.0 CZ D:ARG254 4.7 56.8 1.0 O2A G:ATP401 4.7 75.7 1.0 NH2 G:ARG254 4.7 89.1 1.0 NE G:ARG254 4.7 54.0 1.0 O5' D:ATP401 4.7 56.0 1.0

Magnesium binding site 5 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg702 b:77.8 occ:1.00 O2B E:TPP701 2.0 0.6 1.0 OD1 E:ASP550 2.0 77.2 1.0 OD1 E:ASN577 2.2 68.3 1.0 O E:GLU579 2.3 73.0 1.0 O1A E:TPP701 2.3 65.2 1.0 CG E:ASN577 3.0 62.6 1.0 CG E:ASP550 3.1 73.9 1.0 PB E:TPP701 3.1 92.5 1.0 ND2 E:ASN577 3.3 62.3 1.0 C E:GLU579 3.4 80.4 1.0 PA E:TPP701 3.4 67.3 1.0 O1B E:TPP701 3.5 90.5 1.0 O3A E:TPP701 3.5 78.7 1.0 OD2 E:ASP550 3.5 67.5 1.0 N E:GLY581 3.9 82.1 1.0 N E:GLU579 4.0 75.0 1.0 O7 E:TPP701 4.1 0.4 1.0 N E:ASP550 4.2 59.1 1.0 CA E:GLU579 4.3 82.2 1.0 N E:GLN580 4.3 85.3 1.0 N E:ASN577 4.3 71.6 1.0 N E:ALA551 4.4 68.6 1.0 CG E:GLU579 4.4 89.8 1.0 CA E:GLN580 4.4 80.0 1.0 CB E:ASP550 4.4 77.8 1.0 O3B E:TPP701 4.4 75.2 1.0 O E:LEU575 4.4 75.4 1.0 CB E:ASN577 4.4 64.3 1.0 O2A E:TPP701 4.6 47.8 1.0 C E:GLN580 4.7 79.2 1.0 CA E:GLY581 4.7 83.2 1.0 CB E:ALA551 4.8 65.9 1.0 CA E:ASN577 4.8 69.9 1.0 CA E:ASP550 4.8 62.8 1.0 N E:GLU578 4.8 84.6 1.0 C E:ASN577 4.8 81.9 1.0 CB E:GLU579 5.0 93.8 1.0

Magnesium binding site 6 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg702 b:50.9 occ:1.00 O2B F:TPP701 2.0 70.8 1.0 OD2 F:ASP550 2.0 74.5 1.0 OD1 F:ASN577 2.0 0.3 1.0 O F:GLU579 2.8 57.4 1.0 CG F:ASN577 2.9 68.9 1.0 O1A F:TPP701 2.9 67.8 1.0 CG F:ASP550 3.1 68.8 1.0 ND2 F:ASN577 3.3 60.9 1.0 PB F:TPP701 3.4 74.5 1.0 O F:LEU575 3.7 60.3 1.0 OD1 F:ASP550 3.8 68.5 1.0 N F:ASP550 3.9 57.1 1.0 N F:ASN577 3.9 61.2 1.0 C F:GLU579 4.0 63.7 1.0 O3A F:TPP701 4.0 89.3 1.0 PA F:TPP701 4.0 68.5 1.0 CB F:ASP550 4.1 60.8 1.0 O1B F:TPP701 4.2 81.3 1.0 CB F:ASN577 4.2 62.0 1.0 N F:GLU579 4.3 68.0 1.0 O3B F:TPP701 4.4 69.3 1.0 N F:GLY581 4.5 57.7 1.0 CA F:ASN577 4.5 61.9 1.0 CG F:GLU579 4.5 80.7 1.0 CA F:ASP550 4.6 57.0 1.0 N F:GLU578 4.7 66.1 1.0 CA F:GLU579 4.7 68.7 1.0 C F:ASN577 4.7 67.3 1.0 CA F:GLY549 4.8 57.1 1.0 N F:ALA551 4.8 71.3 1.0 C F:GLY549 4.8 56.7 1.0 C F:LEU575 4.8 61.0 1.0 O7 F:TPP701 4.8 0.0 1.0 C F:ASN576 4.9 69.5 1.0 CA F:ASN576 4.9 65.2 1.0 N F:GLN580 5.0 67.3 1.0

Magnesium binding site 7 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg402 b:53.0 occ:1.00 O2B K:ATP401 2.0 65.8 1.0 O2B H:ATP401 2.1 79.8 1.0 O1A K:ATP401 2.2 69.8 1.0 O3A H:ATP401 2.4 58.5 1.0 PB H:ATP401 2.5 82.8 1.0 O2G H:ATP401 2.7 61.4 1.0 PB K:ATP401 2.8 68.0 1.0 O3B K:ATP401 3.0 55.4 1.0 O3B H:ATP401 3.0 11.2 1.0 O2G K:ATP401 3.1 72.3 1.0 PA K:ATP401 3.3 55.6 1.0 O3A K:ATP401 3.3 68.8 1.0 PG H:ATP401 3.4 64.2 1.0 PG K:ATP401 3.6 71.1 1.0 NH2 K:ARG254 3.8 59.3 1.0 PA H:ATP401 3.9 81.8 1.0 NH2 H:ARG254 4.0 79.7 1.0 O1B H:ATP401 4.0 8.8 1.0 O3G H:ATP401 4.2 78.9 1.0 O1B K:ATP401 4.3 82.6 1.0 O2A K:ATP401 4.3 69.1 1.0 NH1 H:ARG254 4.3 74.8 1.0 NZ H:LYS251 4.4 58.4 1.0 O5' H:ATP401 4.4 47.3 1.0 O1G K:ATP401 4.4 81.9 1.0 O5' K:ATP401 4.4 45.4 1.0 O2A H:ATP401 4.5 87.5 1.0 NH1 K:ARG254 4.6 66.2 1.0 O1G H:ATP401 4.6 65.0 1.0 NZ K:LYS251 4.6 61.1 1.0 CZ K:ARG254 4.6 58.8 1.0 CZ H:ARG254 4.7 80.2 1.0 O3G K:ATP401 4.8 72.4 1.0 O1A H:ATP401 4.9 0.5 1.0 CE H:LYS251 5.0 56.8 1.0

Magnesium binding site 8 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg702 b:49.5 occ:1.00 OD1 I:ASP550 2.0 83.1 1.0 O2B I:TPP701 2.0 0.1 1.0 O1A I:TPP701 2.1 97.5 1.0 O I:GLU579 2.3 0.8 1.0 OD1 I:ASN577 2.7 0.8 1.0 CG I:ASP550 3.1 98.9 1.0 PB I:TPP701 3.3 92.0 1.0 PA I:TPP701 3.3 99.0 1.0 CG I:ASN577 3.3 86.9 1.0 ND2 I:ASN577 3.4 86.0 1.0 C I:GLU579 3.5 0.9 1.0 O3A I:TPP701 3.6 91.3 1.0 OD2 I:ASP550 3.7 0.5 1.0 N I:ASP550 3.8 90.7 1.0 N I:GLY581 3.9 81.2 1.0 O7 I:TPP701 4.0 0.9 1.0 N I:GLU579 4.2 0.6 1.0 O1B I:TPP701 4.2 88.0 1.0 O3B I:TPP701 4.2 89.5 1.0 N I:ALA551 4.3 79.4 1.0 CB I:ASP550 4.3 0.8 1.0 CA I:GLU579 4.4 0.5 1.0 O I:LEU575 4.4 86.7 1.0 N I:GLN580 4.4 95.2 1.0 CG I:GLU579 4.4 0.7 1.0 O2A I:TPP701 4.4 0.2 1.0 CA I:GLN580 4.5 82.9 1.0 CA I:ASP550 4.5 91.4 1.0 N I:ASN577 4.6 95.1 1.0 CA I:GLY549 4.6 81.1 1.0 CB I:ASN577 4.7 89.0 1.0 C I:GLY549 4.7 81.1 1.0 CB I:ALA551 4.7 77.5 1.0 C I:GLN580 4.7 80.1 1.0 CA I:GLY581 4.8 89.0 1.0 C I:ASP550 4.9 84.5 1.0 N I:GLU578 5.0 0.8 1.0

Magnesium binding site 9 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg702 b:99.9 occ:1.00 OD1 J:ASN577 2.1 0.8 1.0 O1A J:TPP701 2.1 0.3 1.0 O1B J:TPP701 2.2 0.7 1.0 OD1 J:ASP550 2.2 85.6 1.0 O J:GLU579 2.3 0.8 1.0 O2B J:TPP701 2.5 0.6 1.0 PB J:TPP701 2.8 0.7 1.0 CG J:ASN577 3.0 98.6 1.0 ND2 J:ASN577 3.2 0.9 1.0 PA J:TPP701 3.3 0.5 1.0 CG J:ASP550 3.4 87.9 1.0 C J:GLU579 3.5 0.9 1.0 O3A J:TPP701 3.6 0.5 1.0 O7 J:TPP701 3.8 0.4 1.0 OD2 J:ASP550 3.9 86.0 1.0 N J:GLY581 4.0 80.9 1.0 O3B J:TPP701 4.1 98.0 1.0 N J:ASP550 4.2 85.5 1.0 N J:GLU579 4.3 0.5 1.0 CA J:GLN580 4.3 78.8 1.0 N J:GLN580 4.4 82.7 1.0 CB J:ASN577 4.4 90.9 1.0 N J:ALA551 4.4 90.3 1.0 N J:ASN577 4.4 91.7 1.0 CA J:GLU579 4.5 1.0 1.0 O2A J:TPP701 4.6 0.5 1.0 CB J:ASP550 4.6 0.2 1.0 O J:LEU575 4.7 91.4 1.0 C J:GLN580 4.7 79.3 1.0 CB J:ALA551 4.8 85.3 1.0 CA J:ASP550 4.9 96.1 1.0 CA J:ASN577 4.9 92.0 1.0 CA J:GLY581 4.9 84.1 1.0 C J:GLY549 4.9 84.2 1.0 CA J:GLY549 5.0 84.7 1.0 CG J:GLU579 5.0 0.5 1.0 N J:GLU578 5.0 0.8 1.0

Magnesium binding site 10 out of 16 in the Saccharomyces Cerevisiae Acetohydroxyacid Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Saccharomyces Cerevisiae Acetohydroxyacid Synthase within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg402 b:74.5 occ:1.00 O1B L:ATP401 2.1 0.3 1.0 O1B O:ATP401 2.1 89.9 1.0 O3A O:ATP401 2.2 9.5 1.0 O3A L:ATP401 2.2 65.2 1.0 PB L:ATP401 2.6 0.6 1.0 PB O:ATP401 2.6 66.3 1.0 O3G L:ATP401 2.9 89.7 1.0 NH1 L:ARG254 3.0 59.2 1.0 O1G O:ATP401 3.3 75.8 1.0 O3B L:ATP401 3.5 22.6 1.0 PA O:ATP401 3.6 58.5 1.0 PG L:ATP401 3.7 91.2 1.0 O3B O:ATP401 3.7 54.8 1.0 PA L:ATP401 3.7 64.0 1.0 O2B O:ATP401 3.8 29.5 1.0 NH2 O:ARG254 3.8 61.7 1.0 O2B L:ATP401 3.9 1.0 1.0 PG O:ATP401 4.0 85.2 1.0 NH1 O:ARG254 4.0 77.6 1.0 O2A O:ATP401 4.0 87.6 1.0 O1G L:ATP401 4.1 0.5 1.0 NZ L:LYS251 4.2 77.4 1.0 CZ L:ARG254 4.2 66.4 1.0 O5' O:ATP401 4.3 36.3 1.0 O5' L:ATP401 4.3 57.6 1.0 O1A L:ATP401 4.4 50.6 1.0 CZ O:ARG254 4.4 64.8 1.0 O3G O:ATP401 4.4 77.6 1.0 NH2 L:ARG254 4.7 70.4 1.0 O2A L:ATP401 4.7 75.9 1.0 O1A O:ATP401 4.7 70.4 1.0 CE L:LYS251 5.0 67.7 1.0

T.Lonhienne, Y.S.Low, M.D.Garcia, T.Croll, Y.Gao, Q.Wang, L.Brillault, C.M.Williams, J.A.Fraser, R.P.Mcgeary, N.P.West, M.J.Landsberg, Z.Rao, G.Schenk, L.W.Guddat. Structures of Fungal and Plant Acetohydroxyacid Synthases. Nature V. 586 317 2020.
ISSN: ESSN 1476-4687
PubMed: 32640464
DOI: 10.1038/S41586-020-2514-3