Chlorine in PDB 8oi1: Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP4)

All present enzymatic activity of Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP4):
3.4.25.1;

The structure of Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP4), PDB code: 8oi1 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 / 2.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	135.47, 300.56, 143.85, 90, 113.1, 90
R / Rfree (%)	17.4 / 22.4

The structure of Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP4) also contains other interesting chemical elements:

Magnesium

(Mg)

11 atoms

The binding sites of Chlorine atom in the Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP4) (pdb code 8oi1). 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 (TRANSCEP4), PDB code: 8oi1:
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 (TRANSCEP4)


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 (TRANSCEP4) within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl203 b:92.2 occ:1.00 NH2 N:ARG45 3.4 79.3 1.0 NH1 N:ARG45 3.4 76.3 1.0 NE2 N:GLN53 3.6 68.1 1.0 CG2 N:THR31 3.8 91.5 1.0 CZ N:ARG45 3.9 76.6 1.0 CB N:ALA49 4.1 74.9 1.0 OD1 H:ASP120 4.2 143.3 1.0 CD N:GLN53 4.6 68.2 1.0 O H:THR119 4.7 83.0 1.0 CG N:GLN53 4.7 67.0 1.0 CA N:ALA49 4.8 73.7 1.0 OG1 N:THR20 5.0 82.3 1.0

Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome in Complex with A Photoswitchable Cepafungin Derivative (TRANSCEP4)


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 (TRANSCEP4) within 5.0Å range: probe atom residue distance (Å) B Occ b:Cl201 b:90.3 occ:1.00 NH1 b:ARG45 3.6 84.7 1.0 NH2 b:ARG45 3.8 82.8 1.0 CG2 b:THR31 3.8 81.6 1.0 CB b:ALA49 3.8 75.7 1.0 NE2 b:GLN53 3.8 64.9 1.0 CZ b:ARG45 4.2 82.5 1.0 OD1 V:ASP120 4.2 126.4 1.0 OG1 b:THR20 4.6 81.7 1.0 CA b:ALA49 4.6 77.2 1.0 CD b:GLN53 4.9 65.1 1.0 CB b:THR20 4.9 79.8 1.0 O V:THR119 5.0 73.1 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