Chlorine in PDB 5cgi: Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Onx 0914

All present enzymatic activity of Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Onx 0914:
3.4.25.1;

The structure of Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Onx 0914, PDB code: 5cgi 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 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	136.190, 300.030, 145.040, 90.00, 112.96, 90.00
R / Rfree (%)	18.6 / 20.6

The structure of Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Onx 0914 also contains other interesting chemical elements:

Magnesium	(Mg)	8 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Onx 0914 (pdb code 5cgi). 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 Onx 0914, PDB code: 5cgi:
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 Onx 0914


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 Onx 0914 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:43.1 occ:1.00 OH H:TYR69 2.8 41.4 1.0 NH1 G:ARG111 3.0 38.3 1.0 OD1 G:ASN114 3.3 44.2 1.0 CZ H:TYR69 3.7 41.3 1.0 CD G:ARG111 3.7 40.7 1.0 CE2 H:TYR69 3.7 41.3 1.0 CB G:ASN114 3.8 42.5 1.0 CG G:ASN114 3.9 42.9 1.0 CZ G:ARG111 4.1 40.1 1.0 NE G:ARG111 4.3 40.6 1.0 CA G:ARG111 4.7 41.8 1.0 O G:ARG111 4.9 42.9 1.0 CE1 H:TYR69 5.0 41.9 1.0 CG G:ARG111 5.0 40.8 1.0 CD2 H:TYR69 5.0 42.0 1.0

Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Onx 0914


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 Onx 0914 within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:40.7 occ:1.00 OH V:TYR69 3.0 42.7 1.0 NH1 U:ARG111 3.0 46.4 1.0 OD1 U:ASN114 3.2 52.0 1.0 CB U:ASN114 3.6 44.1 1.0 CG U:ASN114 3.7 46.6 1.0 CE2 V:TYR69 3.8 45.5 1.0 CD U:ARG111 3.8 44.9 1.0 CZ V:TYR69 3.8 45.8 1.0 CZ U:ARG111 4.1 47.4 1.0 NE U:ARG111 4.4 47.4 1.0 CA U:ARG111 4.8 45.1 1.0 O U:ARG111 4.9 46.2 1.0 ND2 U:ASN114 4.9 46.2 1.0 OD2 O:ASP87 5.0 59.4 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