Sodium 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
Chlorine	(Cl)	2 atoms

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium where determined in the Yeast 20S Proteasome BETA5-G48C Mutant in Complex with Onx 0914, PDB code: 5cgi:
Jump to Sodium binding site number: 1; 2;

Sodium 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 Sodium with other atoms in the Na 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 K:Na302 b:26.6 occ:1.00 OG1 K:THR21 3.6 52.2 1.0 O13 K:04C304 3.7 33.5 1.0 C12 K:04C304 3.8 31.0 1.0 CG K:TYR170 4.1 46.1 1.0 O2S K:MES303 4.3 52.8 1.0 CB K:TYR170 4.3 46.7 1.0 C40 K:04C304 4.3 39.5 1.0 CD2 K:TYR170 4.4 45.4 1.0 CD1 K:TYR170 4.5 45.9 1.0 CB K:THR21 4.7 51.9 1.0 O3S K:MES303 4.9 39.9 1.0 C41 K:04C304 4.9 41.3 1.0 CE2 K:TYR170 4.9 44.1 1.0 CE1 K:TYR170 5.0 44.3 1.0

Sodium 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 Sodium with other atoms in the Na 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 Y:Na302 b:12.4 occ:1.00 O13 Y:04C303 3.4 26.2 1.0 OG1 Y:THR21 3.5 49.6 1.0 C12 Y:04C303 3.8 25.4 1.0 CG Y:TYR170 4.1 46.7 1.0 CB Y:TYR170 4.2 45.9 1.0 O2S Y:MES301 4.3 41.2 1.0 CD2 Y:TYR170 4.3 46.6 1.0 CD1 Y:TYR170 4.4 47.4 1.0 C40 Y:04C303 4.4 38.0 1.0 CB Y:THR21 4.7 49.5 1.0 CE2 Y:TYR170 4.8 46.4 1.0 CE1 Y:TYR170 4.9 47.0 1.0 O3S Y:MES301 4.9 40.8 1.0 C41 Y:04C303 5.0 40.9 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