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Chlorine in PDB 5cz7: Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis

Enzymatic activity of Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis

All present enzymatic activity of Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis, PDB code: 5cz7 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 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 136.090, 301.660, 145.510, 90.00, 113.44, 90.00
R / Rfree (%) 19.7 / 21.5

Other elements in 5cz7:

The structure of Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis also contains other interesting chemical elements:

Magnesium (Mg) 11 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis (pdb code 5cz7). 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-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis, PDB code: 5cz7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5cz7

Go back to Chlorine Binding Sites List in 5cz7
Chlorine binding site 1 out of 4 in the Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis


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-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:39.5
occ:1.00
 OH H:TYR69 2.9 38.5 1.0
NH1 G:ARG111 3.0 37.4 1.0
OD1 G:ASN114 3.3 39.6 1.0
CD G:ARG111 3.7 34.4 1.0
CE2 H:TYR69 3.8 35.8 1.0
CZ H:TYR69 3.8 36.2 1.0
CB G:ASN114 3.8 33.7 1.0
CG G:ASN114 3.9 35.9 1.0
CZ G:ARG111 4.0 36.9 1.0
NE G:ARG111 4.3 35.8 1.0
O H:HOH467 4.5 45.9 1.0
CA G:ARG111 4.7 32.6 1.0
O G:ARG111 4.9 32.5 1.0
CG G:ARG111 5.0 33.4 1.0

Chlorine binding site 2 out of 4 in 5cz7

Go back to Chlorine Binding Sites List in 5cz7
Chlorine binding site 2 out of 4 in the Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis


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-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl204

b:30.0
occ:1.00
 NH2 N:ARG45 2.8 31.2 1.0
NH1 N:ARG45 3.1 31.8 1.0
NE2 N:GLN53 3.2 27.0 1.0
CZ N:ARG45 3.4 31.4 1.0
CG2 N:THR31 3.8 36.8 1.0
C25 N:BO2201 4.0 26.7 1.0
C24 N:BO2201 4.1 27.1 1.0
CB N:ALA49 4.1 29.1 1.0
CD N:GLN53 4.2 26.5 1.0
CG N:GLN53 4.4 26.6 1.0
OD1 H:ASP120 4.6 54.2 1.0
CA N:ALA49 4.6 29.3 1.0
C23 N:BO2201 4.7 27.2 1.0
O N:ASP32 4.7 35.6 1.0
NE N:ARG45 4.7 31.4 1.0
O H:THR119 4.8 38.5 1.0
CB a:TYR228 4.8 37.1 1.0
O N:ALA49 4.9 30.2 1.0
CD2 a:TYR228 5.0 33.9 1.0

Chlorine binding site 3 out of 4 in 5cz7

Go back to Chlorine Binding Sites List in 5cz7
Chlorine binding site 3 out of 4 in the Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis


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-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:43.6
occ:1.00
 OH V:TYR69 2.8 42.0 1.0
NH1 U:ARG111 3.1 43.8 1.0
OD1 U:ASN114 3.2 45.0 1.0
CZ V:TYR69 3.7 41.9 1.0
CE2 V:TYR69 3.7 41.9 1.0
CB U:ASN114 3.7 40.0 1.0
CD U:ARG111 3.7 40.8 1.0
CG U:ASN114 3.8 41.3 1.0
CZ U:ARG111 4.1 42.9 1.0
NE U:ARG111 4.4 42.4 1.0
CA U:ARG111 4.8 39.0 1.0
O U:ARG111 4.9 38.5 1.0
CE1 V:TYR69 5.0 42.5 1.0
CD2 V:TYR69 5.0 42.9 1.0
ND2 U:ASN114 5.0 41.8 1.0
OD2 O:ASP87 5.0 51.4 1.0

Chlorine binding site 4 out of 4 in 5cz7

Go back to Chlorine Binding Sites List in 5cz7
Chlorine binding site 4 out of 4 in the Yeast 20S Proteasome BETA5-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis


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-T1A BETA5-K81R Double Mutant in Complex with Bortezomib, Propeptide Expressed in Cis within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Cl202

b:30.0
occ:1.00
 O V:HOH417 2.7 39.2 1.0
NH2 b:ARG45 2.9 32.9 1.0
NE2 b:GLN53 3.1 31.6 1.0
NH1 b:ARG45 3.2 35.2 1.0
CZ b:ARG45 3.5 33.8 1.0
CG2 b:THR31 3.7 40.0 1.0
C25 b:BO2201 4.0 33.6 1.0
CD b:GLN53 4.1 31.3 1.0
CB b:ALA49 4.2 33.5 1.0
CG b:GLN53 4.3 31.2 1.0
C24 b:BO2201 4.3 33.7 1.0
OD1 V:ASP120 4.4 56.1 1.0
O V:THR119 4.6 38.7 1.0
O b:ASP32 4.7 36.2 1.0
CB M:TYR228 4.7 42.4 1.0
CA b:ALA49 4.8 33.5 1.0
C23 b:BO2201 4.8 33.7 1.0
NE b:ARG45 4.8 33.9 1.0
CD2 M:TYR228 4.9 38.4 1.0
O b:ALA49 4.9 33.7 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: Fri Jul 26 06:23:52 2024

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