Chlorine in PDB 6zp8: Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB335

All present enzymatic activity of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB335:
3.4.25.1;

The structure of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB335, PDB code: 6zp8 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 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	136.16, 300.12, 144.83, 90, 113.11, 90
R / Rfree (%)	16.7 / 20

The structure of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB335 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 HB335 (pdb code 6zp8). 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 HB335, PDB code: 6zp8:
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 HB335


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 HB335 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:42.6 occ:1.00 OH H:TYR69 2.9 42.7 1.0 NH1 G:ARG111 3.1 45.9 1.0 OD1 G:ASN114 3.2 42.9 1.0 CD G:ARG111 3.7 45.8 1.0 CB G:ASN114 3.7 42.1 1.0 CE2 H:TYR69 3.7 44.4 1.0 CZ H:TYR69 3.7 44.5 1.0 CG G:ASN114 3.8 42.4 1.0 CZ G:ARG111 4.1 45.7 1.0 NE G:ARG111 4.3 46.0 1.0 O H:HOH1012 4.5 39.7 1.0 CA G:ARG111 4.7 44.0 1.0 O G:ARG111 4.8 46.0 1.0 CG G:ARG111 5.0 44.2 1.0 CE1 H:TYR69 5.0 43.9 1.0 CD2 H:TYR69 5.0 43.6 1.0

Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB335


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 HB335 within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:54.9 occ:1.00 OH V:TYR69 2.9 52.6 1.0 OD1 U:ASN114 3.1 52.1 1.0 NH1 U:ARG111 3.2 49.6 1.0 CB U:ASN114 3.5 45.1 1.0 CE2 V:TYR69 3.6 52.5 1.0 CG U:ASN114 3.6 47.6 1.0 CZ V:TYR69 3.7 53.4 1.0 CD U:ARG111 3.8 48.3 1.0 CZ U:ARG111 4.3 49.0 1.0 NE U:ARG111 4.5 49.7 1.0 CA U:ARG111 4.7 45.4 1.0 O U:ARG111 4.8 44.8 1.0 ND2 U:ASN114 4.9 46.2 1.0 CD2 V:TYR69 4.9 53.1 1.0 CA U:ASN114 5.0 43.9 1.0 CE1 V:TYR69 5.0 54.4 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