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Chlorine in PDB 5cz5: Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib

Enzymatic activity of Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib

All present enzymatic activity of Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib, PDB code: 5cz5 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 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 136.770, 300.420, 145.340, 90.00, 113.14, 90.00
R / Rfree (%) 20.1 / 22.2

Other elements in 5cz5:

The structure of Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib (pdb code 5cz5). 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 BETA1-T1A Mutant in Complex with Carfilzomib, PDB code: 5cz5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5cz5

Go back to Chlorine Binding Sites List in 5cz5
Chlorine binding site 1 out of 4 in the Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib


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 BETA1-T1A Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl303

b:42.8
occ:1.00
 OH H:TYR69 2.8 43.0 1.0
NH1 G:ARG111 3.0 41.5 1.0
ND2 G:ASN114 3.2 43.4 1.0
CD G:ARG111 3.6 41.0 1.0
CE2 H:TYR69 3.6 43.5 1.0
CZ H:TYR69 3.6 43.5 1.0
CB G:ASN114 3.9 43.7 1.0
CZ G:ARG111 4.0 41.7 1.0
CG G:ASN114 4.1 43.5 1.0
NE G:ARG111 4.2 41.4 1.0
CA G:ARG111 4.6 41.7 1.0
O G:ARG111 4.8 45.2 1.0
CG G:ARG111 4.9 40.7 1.0
CE1 H:TYR69 4.9 44.4 1.0
CD2 H:TYR69 4.9 43.9 1.0

Chlorine binding site 2 out of 4 in 5cz5

Go back to Chlorine Binding Sites List in 5cz5
Chlorine binding site 2 out of 4 in the Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib


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 BETA1-T1A Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl202

b:61.5
occ:1.00
 NE2 N:GLN53 3.3 48.0 1.0
NH1 N:ARG45 3.3 44.3 1.0
NH2 N:ARG45 3.3 45.5 1.0
CG2 N:THR31 3.6 58.1 1.0
CB N:ALA49 3.7 51.5 1.0
CD1 N:LEU-1 3.8 44.0 1.0
CZ N:ARG45 3.8 44.0 1.0
OD1 H:ASP120 4.2 78.8 1.0
CA N:ALA49 4.3 49.3 1.0
CD N:GLN53 4.4 44.8 1.0
CD2 N:LEU-1 4.5 42.0 1.0
O H:THR119 4.6 50.8 1.0
CG N:GLN53 4.7 44.0 1.0
CG N:LEU-1 4.8 43.3 1.0
O N:ALA49 4.9 47.4 1.0
CB N:THR31 4.9 58.5 1.0
OG1 N:THR20 5.0 60.8 1.0

Chlorine binding site 3 out of 4 in 5cz5

Go back to Chlorine Binding Sites List in 5cz5
Chlorine binding site 3 out of 4 in the Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib


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 BETA1-T1A Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:44.5
occ:1.00
 NH1 U:ARG111 3.0 49.2 1.0
OH V:TYR69 3.1 54.8 1.0
ND2 U:ASN114 3.2 49.0 1.0
CB U:ASN114 3.7 45.9 1.0
CD U:ARG111 3.7 45.8 1.0
CE2 V:TYR69 3.8 52.4 1.0
CZ V:TYR69 3.9 52.5 1.0
CG U:ASN114 3.9 47.3 1.0
CZ U:ARG111 4.1 48.6 1.0
NE U:ARG111 4.3 48.2 1.0
CA U:ARG111 4.8 44.7 1.0
O U:ARG111 4.8 47.0 1.0
OD2 O:ASP87 5.0 59.5 1.0

Chlorine binding site 4 out of 4 in 5cz5

Go back to Chlorine Binding Sites List in 5cz5
Chlorine binding site 4 out of 4 in the Yeast 20S Proteasome BETA1-T1A Mutant in Complex with Carfilzomib


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 BETA1-T1A Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Cl201

b:52.5
occ:1.00
 NH2 b:ARG45 3.1 45.6 1.0
NE2 b:GLN53 3.2 43.8 1.0
NH1 b:ARG45 3.3 46.3 1.0
CG2 b:THR31 3.6 58.1 1.0
CZ b:ARG45 3.6 45.5 1.0
CD1 b:LEU-1 3.9 43.1 1.0
CB b:ALA49 4.1 47.6 1.0
OD1 V:ASP120 4.2 69.2 1.0
CD b:GLN53 4.4 42.2 1.0
O V:THR119 4.6 45.4 1.0
CA b:ALA49 4.7 47.8 1.0
CG b:GLN53 4.7 42.1 1.0
CD2 b:LEU-1 4.7 43.0 1.0
OG1 b:THR20 4.8 53.7 1.0
CG b:LEU-1 4.9 42.7 1.0
NE b:ARG45 5.0 45.6 1.0

Reference:

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
Page generated: Sat Jul 12 01:01:07 2025

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