Chlorine in PDB 6zp6: Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB334

All present enzymatic activity of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB334:
3.4.25.1;

The structure of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB334, PDB code: 6zp6 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 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	135.72, 301.64, 144.36, 90, 113.08, 90
R / Rfree (%)	17.4 / 20.2

The structure of Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB334 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 HB334 (pdb code 6zp6). 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 HB334, PDB code: 6zp6:
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 HB334


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 HB334 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:54.3 occ:1.00 OH H:TYR69 2.9 56.1 1.0 NH1 G:ARG111 3.1 58.2 1.0 OD1 G:ASN114 3.2 61.6 1.0 CD G:ARG111 3.6 58.1 1.0 CE2 H:TYR69 3.7 57.3 1.0 CB G:ASN114 3.7 55.3 1.0 CZ H:TYR69 3.7 57.1 1.0 CG G:ASN114 3.9 57.4 1.0 CZ G:ARG111 4.1 59.1 1.0 NE G:ARG111 4.3 58.9 1.0 CA G:ARG111 4.6 56.1 1.0 O G:ARG111 4.8 59.9 1.0 CG G:ARG111 4.9 56.6 1.0 CE1 H:TYR69 5.0 57.1 1.0 CD2 H:TYR69 5.0 56.4 1.0 OD2 A:ASP87 5.0 70.0 1.0 O G:HOH417 5.0 50.5 1.0

Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome in Complex with Glidobactin-Like Natural Product HB334


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 HB334 within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:61.5 occ:1.00 OH V:TYR69 2.9 62.0 1.0 OD1 U:ASN114 3.2 62.1 1.0 NH1 U:ARG111 3.2 61.8 1.0 CB U:ASN114 3.6 57.3 1.0 CE2 V:TYR69 3.6 63.2 1.0 CZ V:TYR69 3.7 63.5 1.0 CG U:ASN114 3.7 59.4 1.0 CD U:ARG111 3.9 59.4 1.0 CZ U:ARG111 4.3 62.3 1.0 NE U:ARG111 4.5 61.5 1.0 CA U:ARG111 4.8 57.3 1.0 OD2 O:ASP87 4.9 76.8 1.0 O U:ARG111 4.9 54.9 1.0 CD2 V:TYR69 4.9 62.9 1.0 CE1 V:TYR69 5.0 64.0 1.0 ND2 U:ASN114 5.0 59.2 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