Chlorine in PDB 6zou: Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333

All present enzymatic activity of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333:
3.4.25.1;

The structure of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333, PDB code: 6zou was solved by L.Zhao, C.Le Chapelain, A.O.Brachmann, M.Kaiser, M.Groll, H.B.Bode, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	136.78, 300.24, 145.74, 90, 113.32, 90
R / Rfree (%)	17.2 / 21.2

The structure of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333 also contains other interesting chemical elements:

Magnesium

(Mg)

8 atoms

The binding sites of Chlorine atom in the Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333 (pdb code 6zou). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333, PDB code: 6zou:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:54.7 occ:1.00 OH H:TYR69 2.8 51.2 1.0 NH1 G:ARG111 3.1 48.8 1.0 OD1 G:ASN114 3.2 57.1 1.0 CE2 H:TYR69 3.6 49.9 1.0 CZ H:TYR69 3.6 50.2 1.0 CD G:ARG111 3.7 54.2 1.0 CB G:ASN114 3.7 49.8 1.0 O A:HOH302 3.8 62.8 1.0 CG G:ASN114 3.8 51.2 1.0 CZ G:ARG111 4.1 51.2 1.0 NE G:ARG111 4.3 53.9 1.0 CA G:ARG111 4.7 51.2 1.0 O G:ARG111 4.8 52.5 1.0 OD2 A:ASP87 4.9 63.8 1.0 CD2 H:TYR69 4.9 49.3 1.0 CE1 H:TYR69 4.9 50.0 1.0 CG G:ARG111 5.0 52.1 1.0

Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB333 within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:59.9 occ:1.00 OH V:TYR69 2.9 56.4 1.0 NH1 U:ARG111 3.1 56.3 1.0 OD1 U:ASN114 3.1 57.3 1.0 CB U:ASN114 3.5 52.3 1.0 CG U:ASN114 3.7 55.0 1.0 CE2 V:TYR69 3.7 55.5 1.0 CZ V:TYR69 3.8 56.9 1.0 CD U:ARG111 3.8 55.7 1.0 CZ U:ARG111 4.2 55.6 1.0 NE U:ARG111 4.4 57.1 1.0 O U:ARG111 4.8 52.2 1.0 CA U:ARG111 4.8 53.3 1.0 OD2 O:ASP87 4.8 72.5 1.0 ND2 U:ASN114 4.9 52.7 1.0 CA U:ASN114 5.0 51.3 1.0

L.Zhao, C.Le Chapelain, A.O.Brachmann, M.Kaiser, M.Groll, H.B.Bode. Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-Like Proteasome Inhibitors From Photorhabdus Laumondii. Chembiochem V. 22 1582 2021.
ISSN: ESSN 1439-7633
PubMed: 33452852
DOI: 10.1002/CBIC.202100014