Chlorine in PDB 8ohz: Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP1)

All present enzymatic activity of Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP1):
3.4.25.1;

The structure of Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP1), PDB code: 8ohz was solved by J.Morstein, A.Amatuni, A.Schuster, W.Kuttenlochner, T.Ko, M.Groll, A.Adibekian, H.Renata, D.H.Trauner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	135.51, 300.79, 144.77, 90, 113.41, 90
R / Rfree (%)	18 / 22.2

The structure of Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP1) also contains other interesting chemical elements:

Magnesium

(Mg)

8 atoms

The binding sites of Chlorine atom in the Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP1) (pdb code 8ohz). 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 A Photoswitchable Cepafungin Derivative (TRANSCEP1), PDB code: 8ohz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP1)


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 A Photoswitchable Cepafungin Derivative (TRANSCEP1) within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl202 b:74.9 occ:1.00 NH2 N:ARG45 3.1 69.1 1.0 NH1 N:ARG45 3.5 68.6 1.0 NE2 N:GLN53 3.5 54.6 1.0 CZ N:ARG45 3.8 66.6 1.0 CG2 N:THR31 3.8 71.9 1.0 CB N:ALA49 3.9 55.4 1.0 OG1 N:THR20 4.3 71.1 1.0 CD N:GLN53 4.6 53.9 1.0 CA N:ALA49 4.7 57.2 1.0 CG N:GLN53 4.8 53.2 1.0 O H:THR119 5.0 65.7 1.0

Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP1)


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 A Photoswitchable Cepafungin Derivative (TRANSCEP1) within 5.0Å range: probe atom residue distance (Å) B Occ b:Cl201 b:89.1 occ:1.00 NH2 b:ARG45 3.1 65.3 1.0 NE2 b:GLN53 3.4 60.4 1.0 NH1 b:ARG45 3.6 68.4 1.0 CG2 b:THR31 3.8 67.3 1.0 CZ b:ARG45 3.9 66.9 1.0 CB b:ALA49 4.0 56.6 1.0 OG1 b:THR20 4.4 71.6 1.0 CD b:GLN53 4.5 59.5 1.0 O V:THR119 4.7 66.0 1.0 CG b:GLN53 4.7 56.6 1.0 CA b:ALA49 4.8 60.0 1.0

J.Morstein, A.Amatuni, A.Shuster, W.Kuttenlochner, T.Ko, D.Abegg, M.Groll, A.Adibekian, H.Renata, D.Trauner. Optical Control of Proteasomal Protein Degradation with A Photoswitchable Lipopeptide. Angew.Chem.Int.Ed.Engl. 14791 2023.
ISSN: ESSN 1521-3773
PubMed: 38109686
DOI: 10.1002/ANIE.202314791