Chlorine in PDB 5d0t: Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132

All present enzymatic activity of Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132:
3.4.25.1;

The structure of Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132, PDB code: 5d0t was solved by E.M.Huber, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	136.860, 300.140, 145.060, 90.00, 113.26, 90.00
R / Rfree (%)	19.5 / 21.8

The structure of Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132 also contains other interesting chemical elements:

Magnesium

(Mg)

11 atoms

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132 (pdb code 5d0t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132, PDB code: 5d0t:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132


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-D166N Mutant in Complex with MG132 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:42.1 occ:1.00 OH H:TYR69 2.8 41.4 1.0 NH1 G:ARG111 3.0 41.6 1.0 OD1 G:ASN114 3.3 47.4 1.0 CD G:ARG111 3.6 40.3 1.0 CE2 H:TYR69 3.7 42.3 1.0 CZ H:TYR69 3.7 42.7 1.0 CB G:ASN114 3.8 41.7 1.0 CG G:ASN114 3.9 43.5 1.0 CZ G:ARG111 4.0 41.3 1.0 NE G:ARG111 4.2 41.4 1.0 O G:HOH433 4.3 40.5 1.0 CA G:ARG111 4.7 40.3 1.0 O G:ARG111 4.8 41.8 1.0 CG G:ARG111 4.9 39.8 1.0 CE1 H:TYR69 5.0 43.4 1.0 CD2 H:TYR69 5.0 42.7 1.0

Chlorine binding site 2 out of 4 in the Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132


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-D166N Mutant in Complex with MG132 within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl203 b:73.8 occ:1.00 NH2 N:ARG45 3.1 43.7 1.0 NE2 N:GLN53 3.1 38.1 1.0 NH1 N:ARG45 3.2 42.3 1.0 CZ N:ARG45 3.6 41.7 1.0 CG2 N:THR31 3.8 45.2 1.0 C21 N:ALD201 3.8 0.7 1.0 CB N:ALA49 3.9 36.5 1.0 OD1 H:ASP120 4.2 79.7 1.0 CD N:GLN53 4.2 36.9 1.0 C20 N:ALD201 4.4 0.8 1.0 CG N:GLN53 4.4 35.0 1.0 O H:THR119 4.5 50.5 1.0 CA N:ALA49 4.5 37.3 1.0 C19 N:ALD201 4.6 0.0 1.0 O N:ALA49 4.8 39.9 1.0 CB a:TYR228 4.8 59.3 1.0 O N:ASP32 4.9 46.8 1.0 NE N:ARG45 4.9 41.1 1.0 OG1 N:THR20 5.0 43.0 1.0 CD2 a:TYR228 5.0 55.4 1.0

Chlorine binding site 3 out of 4 in the Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132 within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:44.0 occ:1.00 OH V:TYR69 2.9 48.0 1.0 NH1 U:ARG111 3.1 48.6 1.0 OD1 U:ASN114 3.3 54.1 1.0 CE2 V:TYR69 3.6 46.4 1.0 CB U:ASN114 3.7 46.5 1.0 CZ V:TYR69 3.7 48.3 1.0 CD U:ARG111 3.7 45.0 1.0 CG U:ASN114 3.8 49.5 1.0 CZ U:ARG111 4.1 47.7 1.0 NE U:ARG111 4.4 46.9 1.0 CA U:ARG111 4.7 44.1 1.0 O U:ARG111 4.8 45.6 1.0 OD2 O:ASP87 4.9 56.9 1.0 ND2 U:ASN114 4.9 48.9 1.0 CD2 V:TYR69 4.9 48.0 1.0

Chlorine binding site 4 out of 4 in the Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Yeast 20S Proteasome BETA5-D166N Mutant in Complex with MG132 within 5.0Å range: probe atom residue distance (Å) B Occ b:Cl203 b:94.7 occ:1.00 NE2 b:GLN53 3.0 40.4 1.0 NH2 b:ARG45 3.4 41.1 1.0 NH1 b:ARG45 3.6 44.0 1.0 CG2 b:THR31 3.6 47.0 1.0 OD1 V:ASP120 3.7 76.6 1.0 C21 b:ALD201 3.9 0.9 1.0 CB b:ALA49 4.0 40.6 1.0 CZ b:ARG45 4.0 42.4 1.0 O V:THR119 4.2 51.8 1.0 CD b:GLN53 4.2 40.2 1.0 CG b:GLN53 4.6 38.9 1.0 CB M:TYR228 4.7 66.5 1.0 C20 b:ALD201 4.7 93.2 1.0 CA b:ALA49 4.7 40.7 1.0 OG1 b:THR20 4.8 43.0 1.0 CG V:ASP120 4.9 66.4 1.0 C19 b:ALD201 4.9 0.2 1.0 O b:ALA49 5.0 43.8 1.0

E.M.Huber, W.Heinemeyer, X.Li, C.S.Arendt, M.Hochstrasser, M.Groll. A Unified Mechanism For Proteolysis and Autocatalytic Activation in the 20S Proteasome. Nat Commun V. 7 10900 2016.
ISSN: ESSN 2041-1723
PubMed: 26964885
DOI: 10.1038/NCOMMS10900