Chlorine in PDB 5cgh: Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5

All present enzymatic activity of Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5:
3.4.25.1;

The structure of Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5, PDB code: 5cgh was solved by C.Dubiella, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	134.910, 300.210, 145.870, 90.00, 112.90, 90.00
R / Rfree (%)	20.7 / 22.7

The structure of Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5 also contains other interesting chemical elements:

Magnesium

(Mg)

7 atoms

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5 (pdb code 5cgh). 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 BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5, PDB code: 5cgh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5


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 BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:39.1 occ:1.00 OH H:TYR69 2.9 37.0 1.0 NH1 G:ARG111 3.0 36.5 1.0 ND2 G:ASN114 3.2 36.1 1.0 CD G:ARG111 3.7 33.5 1.0 CZ H:TYR69 3.8 36.6 1.0 CE2 H:TYR69 3.8 37.0 1.0 CB G:ASN114 3.8 34.8 1.0 CG G:ASN114 4.0 35.7 1.0 CZ G:ARG111 4.1 34.8 1.0 NE G:ARG111 4.3 34.2 1.0 CA G:ARG111 4.7 32.6 1.0 O G:ARG111 4.9 33.8 1.0

Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5


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 BETA5-G48C Mutant in Complex with Alpha- Chloroacetamide 5 within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:42.3 occ:1.00 OH V:TYR69 3.0 44.8 1.0 ND2 U:ASN114 3.0 37.5 1.0 NH1 U:ARG111 3.1 43.8 1.0 CB U:ASN114 3.7 37.8 1.0 CE2 V:TYR69 3.8 43.6 1.0 CZ V:TYR69 3.8 44.1 1.0 CD U:ARG111 3.8 40.3 1.0 CG U:ASN114 3.8 38.5 1.0 CZ U:ARG111 4.2 42.1 1.0 NE U:ARG111 4.5 42.0 1.0 CA U:ARG111 4.8 38.3 1.0 O U:ARG111 4.9 40.4 1.0

C.Dubiella, R.Baur, H.Cui, E.M.Huber, M.Groll. Selective Inhibition of the Immunoproteasome By Structure-Based Targeting of A Non-Catalytic Cysteine. Angew.Chem.Int.Ed.Engl. V. 54 15888 2015.
ISSN: ESSN 1521-3773
PubMed: 26563572
DOI: 10.1002/ANIE.201506631