Magnesium in PDB 8k3u: S. Cerevisiae CHS1 in Complex with Udp and Glcnac

All present enzymatic activity of S. Cerevisiae CHS1 in Complex with Udp and Glcnac:
2.4.1.16;

The binding sites of Magnesium atom in the S. Cerevisiae CHS1 in Complex with Udp and Glcnac (pdb code 8k3u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the S. Cerevisiae CHS1 in Complex with Udp and Glcnac, PDB code: 8k3u:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the S. Cerevisiae CHS1 in Complex with Udp and Glcnac


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of S. Cerevisiae CHS1 in Complex with Udp and Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:73.7 occ:1.00 O1A A:UDP1504 2.1 69.9 1.0 OD1 A:ASP745 2.9 61.6 1.0 PA A:UDP1504 3.2 69.9 1.0 O2A A:UDP1504 3.4 69.9 1.0 MG A:MG1502 3.7 61.1 1.0 CG A:ASP745 3.9 61.6 1.0 O3A A:UDP1504 4.2 69.9 1.0 OD2 A:ASP745 4.2 61.6 1.0 O5' A:UDP1504 4.3 69.9 1.0 O A:ASP745 4.4 61.6 1.0 C5' A:UDP1504 4.6 69.9 1.0 OG1 A:THR744 4.8 55.6 1.0 O A:ALA603 4.8 59.4 1.0 O3B A:UDP1504 4.9 69.9 1.0 O3' A:UDP1504 5.0 69.9 1.0

Magnesium binding site 2 out of 4 in the S. Cerevisiae CHS1 in Complex with Udp and Glcnac


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of S. Cerevisiae CHS1 in Complex with Udp and Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1502 b:61.1 occ:1.00 O3' A:UDP1504 2.2 69.9 1.0 O2A A:UDP1504 2.9 69.9 1.0 C3' A:UDP1504 3.2 69.9 1.0 PA A:UDP1504 3.5 69.9 1.0 O5' A:UDP1504 3.6 69.9 1.0 O1A A:UDP1504 3.7 69.9 1.0 MG A:MG1501 3.7 73.7 1.0 C4' A:UDP1504 4.1 69.9 1.0 O A:ALA603 4.1 59.4 1.0 C5' A:UDP1504 4.2 69.9 1.0 CB A:GLU457 4.3 79.6 1.0 C2' A:UDP1504 4.5 69.9 1.0 O2' A:UDP1504 4.8 69.9 1.0 CA A:GLU457 4.9 79.6 1.0 O3A A:UDP1504 5.0 69.9 1.0

Magnesium binding site 3 out of 4 in the S. Cerevisiae CHS1 in Complex with Udp and Glcnac


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of S. Cerevisiae CHS1 in Complex with Udp and Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1202 b:73.7 occ:1.00 O1A B:UDP1205 2.1 69.9 1.0 OD1 B:ASP745 2.9 61.6 1.0 PA B:UDP1205 3.2 69.9 1.0 O2A B:UDP1205 3.4 69.9 1.0 MG B:MG1203 3.7 61.1 1.0 CG B:ASP745 3.9 61.6 1.0 O3A B:UDP1205 4.2 69.9 1.0 OD2 B:ASP745 4.2 61.6 1.0 O5' B:UDP1205 4.3 69.9 1.0 O B:ASP745 4.4 61.6 1.0 C5' B:UDP1205 4.6 69.9 1.0 OG1 B:THR744 4.8 55.6 1.0 O B:ALA603 4.8 59.4 1.0 O3B B:UDP1205 4.9 69.9 1.0 O3' B:UDP1205 5.0 69.9 1.0

Magnesium binding site 4 out of 4 in the S. Cerevisiae CHS1 in Complex with Udp and Glcnac


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of S. Cerevisiae CHS1 in Complex with Udp and Glcnac within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1203 b:61.1 occ:1.00 O3' B:UDP1205 2.2 69.9 1.0 O2A B:UDP1205 2.9 69.9 1.0 C3' B:UDP1205 3.2 69.9 1.0 PA B:UDP1205 3.5 69.9 1.0 O5' B:UDP1205 3.6 69.9 1.0 O1A B:UDP1205 3.7 69.9 1.0 MG B:MG1202 3.7 73.7 1.0 C4' B:UDP1205 4.1 69.9 1.0 O B:ALA603 4.1 59.4 1.0 C5' B:UDP1205 4.2 69.9 1.0 CB B:GLU457 4.3 79.6 1.0 C2' B:UDP1205 4.5 69.9 1.0 O2' B:UDP1205 4.8 69.9 1.0 CA B:GLU457 4.9 79.6 1.0 O3A B:UDP1205 5.0 69.9 1.0

D.D.Chen, Z.B.Wang, L.X.Wang, P.Zhao, C.H.Yun, L.Bai. Structure, Catalysis, Chitin Transport, and Selective Inhibition of Chitin Synthase Nat Commun V. 14 4776 2023.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-023-40479-4