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Chlorine in PDB 5d0v: Yeast 20S Proteasome BETA5-T1C Mutant in Complex with Carfilzomib

Enzymatic activity of Yeast 20S Proteasome BETA5-T1C Mutant in Complex with Carfilzomib

All present enzymatic activity of Yeast 20S Proteasome BETA5-T1C Mutant in Complex with Carfilzomib:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome BETA5-T1C Mutant in Complex with Carfilzomib, PDB code: 5d0v 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 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 135.170, 299.940, 144.940, 90.00, 112.56, 90.00
R / Rfree (%) 19.3 / 22

Other elements in 5d0v:

The structure of Yeast 20S Proteasome BETA5-T1C 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 BETA5-T1C Mutant in Complex with Carfilzomib (pdb code 5d0v). 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-T1C Mutant in Complex with Carfilzomib, PDB code: 5d0v:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5d0v

Go back to Chlorine Binding Sites List in 5d0v
Chlorine binding site 1 out of 4 in the Yeast 20S Proteasome BETA5-T1C 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 BETA5-T1C Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:48.6
occ:1.00
 OH H:TYR69 2.8 44.1 1.0
NH1 G:ARG111 3.0 40.4 1.0
ND2 G:ASN114 3.2 42.5 1.0
CD G:ARG111 3.6 40.3 1.0
CZ H:TYR69 3.6 43.1 1.0
CE2 H:TYR69 3.7 43.3 1.0
CB G:ASN114 3.8 42.6 1.0
CG G:ASN114 4.0 42.6 1.0
CZ G:ARG111 4.0 40.8 1.0
NE G:ARG111 4.3 40.6 1.0
CA G:ARG111 4.7 40.5 1.0
O G:ARG111 4.8 42.9 1.0
OD2 A:ASP87 4.9 47.9 1.0
CE1 H:TYR69 4.9 43.2 1.0
CG G:ARG111 4.9 39.9 1.0
CD2 H:TYR69 5.0 43.1 1.0

Chlorine binding site 2 out of 4 in 5d0v

Go back to Chlorine Binding Sites List in 5d0v
Chlorine binding site 2 out of 4 in the Yeast 20S Proteasome BETA5-T1C 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 BETA5-T1C Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl203

b:44.8
occ:1.00
 NH2 N:ARG45 3.0 43.2 1.0
NE2 N:GLN53 3.2 38.6 1.0
NH1 N:ARG45 3.4 43.1 1.0
CG2 N:THR31 3.5 46.4 1.0
CZ N:ARG45 3.6 42.0 1.0
C45 N:3BV201 4.0 37.2 1.0
CB N:ALA49 4.2 38.6 1.0
C46 N:3BV201 4.2 38.1 1.0
OD1 H:ASP120 4.2 71.9 1.0
CD N:GLN53 4.3 37.0 1.0
CG N:GLN53 4.5 36.7 1.0
O H:THR119 4.6 50.7 1.0
C44 N:3BV201 4.6 37.7 1.0
CA N:ALA49 4.7 39.2 1.0
OG1 N:THR20 4.8 44.4 1.0
CB a:TYR228 4.9 47.0 1.0
NE N:ARG45 4.9 40.5 1.0
O N:ALA49 5.0 40.3 1.0

Chlorine binding site 3 out of 4 in 5d0v

Go back to Chlorine Binding Sites List in 5d0v
Chlorine binding site 3 out of 4 in the Yeast 20S Proteasome BETA5-T1C 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 BETA5-T1C Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:49.2
occ:1.00
 OH V:TYR69 2.9 49.4 1.0
NH1 U:ARG111 3.0 50.6 1.0
ND2 U:ASN114 3.1 53.8 1.0
CB U:ASN114 3.6 50.1 1.0
CD U:ARG111 3.7 47.3 1.0
CZ V:TYR69 3.8 50.6 1.0
CE2 V:TYR69 3.8 50.5 1.0
CG U:ASN114 3.8 53.0 1.0
CZ U:ARG111 4.1 50.4 1.0
NE U:ARG111 4.3 49.4 1.0
CA U:ARG111 4.6 48.3 1.0
O U:ARG111 4.7 49.8 1.0
OD2 O:ASP87 4.9 45.6 1.0
CG U:ARG111 5.0 46.9 1.0

Chlorine binding site 4 out of 4 in 5d0v

Go back to Chlorine Binding Sites List in 5d0v
Chlorine binding site 4 out of 4 in the Yeast 20S Proteasome BETA5-T1C 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 BETA5-T1C Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Cl202

b:50.4
occ:1.00
 NE2 b:GLN53 3.0 39.9 1.0
NH2 b:ARG45 3.1 42.2 1.0
NH1 b:ARG45 3.5 43.3 1.0
CG2 b:THR31 3.6 49.7 1.0
CZ b:ARG45 3.8 41.9 1.0
OD1 V:ASP120 4.1 67.0 1.0
CB b:ALA49 4.1 40.6 1.0
CD b:GLN53 4.2 38.8 1.0
C45 b:3BV201 4.2 40.2 1.0
C46 b:3BV201 4.3 40.4 1.0
O V:THR119 4.4 46.8 1.0
CG b:GLN53 4.5 38.7 1.0
CA b:ALA49 4.7 41.1 1.0
OG1 b:THR20 4.8 42.7 1.0
CB M:TYR228 4.8 50.9 1.0
C44 b:3BV201 4.8 40.1 1.0
O b:ALA49 4.9 41.2 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 01:04:26 2025

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