Chlorine in PDB 3oeu: Structure of Yeast 20S Open-Gate Proteasome with Compound 24

All present enzymatic activity of Structure of Yeast 20S Open-Gate Proteasome with Compound 24:
3.4.25.1;

The structure of Structure of Yeast 20S Open-Gate Proteasome with Compound 24, PDB code: 3oeu was solved by M.D.Sintchak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	136.774, 299.668, 145.301, 90.00, 113.22, 90.00
R / Rfree (%)	20.9 / 24.9

The structure of Structure of Yeast 20S Open-Gate Proteasome with Compound 24 also contains other interesting chemical elements:

Magnesium

(Mg)

9 atoms

The binding sites of Chlorine atom in the Structure of Yeast 20S Open-Gate Proteasome with Compound 24 (pdb code 3oeu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Yeast 20S Open-Gate Proteasome with Compound 24, PDB code: 3oeu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Yeast 20S Open-Gate Proteasome with Compound 24


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Yeast 20S Open-Gate Proteasome with Compound 24 within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl213 b:49.2 occ:0.90 CL7 K:OEU213 0.0 49.2 0.9 C6 K:OEU213 1.7 47.1 1.0 C5 K:OEU213 2.7 47.0 1.0 C1 K:OEU213 2.7 46.4 1.0 C8 K:OEU213 3.2 45.9 1.0 CA K:ALA46 3.3 41.2 1.0 N K:ALA46 3.3 42.4 1.0 N K:GLY47 3.4 39.8 1.0 C K:ALA46 3.4 41.4 1.0 C K:MET45 3.4 43.7 1.0 O K:GLY47 3.5 35.7 1.0 N30 K:OEU213 3.6 45.0 1.0 O K:MET45 3.7 43.9 1.0 CB K:MET45 3.7 45.0 1.0 SG K:CYS52 3.9 40.3 1.0 C K:GLY47 3.9 36.7 1.0 C4 K:OEU213 4.0 46.6 1.0 C2 K:OEU213 4.0 46.0 1.0 CA K:MET45 4.2 44.2 1.0 O K:GLY48 4.2 36.7 1.0 CB K:CYS52 4.2 39.0 1.0 O K:ALA46 4.2 42.0 1.0 CA K:ALA49 4.2 36.6 1.0 CA K:GLY47 4.3 37.2 1.0 C K:GLY48 4.3 37.5 1.0 N K:ALA49 4.4 37.4 1.0 C3 K:OEU213 4.5 46.2 1.0 OG1 K:THR1 4.6 40.7 1.0 N K:GLY48 4.7 36.6 1.0 CB K:ALA46 4.7 41.9 1.0 C10 K:OEU213 4.9 44.4 1.0 CB K:ALA49 4.9 35.8 1.0 CG K:MET45 4.9 45.6 1.0

Chlorine binding site 2 out of 2 in the Structure of Yeast 20S Open-Gate Proteasome with Compound 24


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Yeast 20S Open-Gate Proteasome with Compound 24 within 5.0Å range: probe atom residue distance (Å) B Occ Y:Cl212 b:46.2 occ:0.90 CL7 Y:OEU212 0.0 46.2 0.9 C6 Y:OEU212 1.7 45.0 1.0 C1 Y:OEU212 2.7 44.7 1.0 C5 Y:OEU212 2.7 44.7 1.0 C8 Y:OEU212 3.1 44.5 1.0 O Y:GLY47 3.4 38.8 1.0 CA Y:ALA46 3.4 41.4 1.0 N30 Y:OEU212 3.5 44.5 1.0 N Y:GLY47 3.5 39.5 1.0 N Y:ALA46 3.5 42.9 1.0 C Y:ALA46 3.6 40.1 1.0 C Y:MET45 3.6 44.0 1.0 O Y:MET45 3.7 44.2 1.0 CB Y:MET45 3.9 45.0 1.0 C Y:GLY47 3.9 38.0 1.0 C2 Y:OEU212 4.0 44.3 1.0 CA Y:ALA49 4.0 37.5 1.0 C4 Y:OEU212 4.0 44.4 1.0 N Y:ALA49 4.1 38.9 1.0 SG Y:CYS52 4.1 40.4 1.0 C Y:GLY48 4.2 39.1 1.0 O Y:GLY48 4.3 39.2 1.0 CB Y:CYS52 4.3 40.0 1.0 CA Y:GLY47 4.3 37.8 1.0 CA Y:MET45 4.3 43.6 1.0 O Y:ALA46 4.4 39.8 1.0 C3 Y:OEU212 4.5 44.4 1.0 N Y:GLY48 4.6 38.0 1.0 OG1 Y:THR1 4.7 40.3 1.0 CB Y:ALA49 4.7 36.9 1.0 C10 Y:OEU212 4.8 44.7 1.0 CB Y:ALA46 4.8 42.0 1.0 CA Y:GLY48 5.0 38.5 1.0

C.Blackburn, C.Barrett, J.L.Blank, F.J.Bruzzese, N.Bump, L.R.Dick, P.Fleming, K.Garcia, P.Hales, Z.Hu, M.Jones, J.X.Liu, D.S.Sappal, M.D.Sintchak, C.Tsu, K.M.Gigstad. Optimization of A Series of Dipeptides with A P3 Threonine Residue As Non-Covalent Inhibitors of the Chymotrypsin-Like Activity of the Human 20S Proteasome. Bioorg.Med.Chem.Lett. V. 20 6581 2010.
ISSN: ISSN 0960-894X
PubMed: 20875739
DOI: 10.1016/J.BMCL.2010.09.032