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Chlorine in PDB 4y8p: Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep

Enzymatic activity of Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep

All present enzymatic activity of Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep, PDB code: 4y8p 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 (°) 135.410, 300.400, 145.350, 90.00, 113.15, 90.00
R / Rfree (%) 19.6 / 22

Other elements in 4y8p:

The structure of Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep (pdb code 4y8p). 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 BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep, PDB code: 4y8p:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4y8p

Go back to Chlorine Binding Sites List in 4y8p
Chlorine binding site 1 out of 4 in the Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep


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 BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:30.0
occ:1.00
 OH H:TYR69 2.7 46.0 1.0
NH1 G:ARG111 3.0 47.0 1.0
OD1 G:ASN114 3.1 53.6 1.0
CD G:ARG111 3.5 44.8 1.0
CZ H:TYR69 3.6 48.9 1.0
CB G:ASN114 3.7 48.1 1.0
CE2 H:TYR69 3.8 49.9 1.0
CG G:ASN114 3.8 48.4 1.0
CZ G:ARG111 4.0 45.5 1.0
O H:HOH311 4.1 54.6 1.0
NE G:ARG111 4.1 45.0 1.0
CA G:ARG111 4.5 45.7 1.0
O G:ARG111 4.7 51.3 1.0
CG G:ARG111 4.7 44.9 1.0
CB G:ARG111 4.9 45.2 1.0
CE1 H:TYR69 4.9 49.4 1.0

Chlorine binding site 2 out of 4 in 4y8p

Go back to Chlorine Binding Sites List in 4y8p
Chlorine binding site 2 out of 4 in the Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep


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 BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl202

b:83.8
occ:1.00
 NH2 N:ARG45 3.0 47.9 1.0
NE2 N:GLN53 3.2 53.2 1.0
NH1 N:ARG45 3.2 46.5 1.0
CZ N:ARG45 3.6 46.2 1.0
CG2 N:THR31 3.7 48.9 1.0
CB N:ALA49 4.1 44.8 1.0
CD1 e:DCL4 4.1 68.8 1.0
CD2 e:DCL4 4.1 71.5 1.0
CD N:GLN53 4.4 49.7 1.0
O H:THR119 4.5 50.6 1.0
OD1 H:ASP120 4.5 65.9 1.0
CA N:ALA49 4.6 45.0 1.0
CG e:DCL4 4.7 69.8 1.0
O N:ALA49 4.7 46.1 1.0
CG N:GLN53 4.8 47.1 1.0
OG1 N:THR20 4.8 47.3 1.0
NE N:ARG45 4.9 45.1 1.0
O N:ASP32 4.9 52.6 1.0

Chlorine binding site 3 out of 4 in 4y8p

Go back to Chlorine Binding Sites List in 4y8p
Chlorine binding site 3 out of 4 in the Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep


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 BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:30.0
occ:1.00
 OH V:TYR69 2.9 56.2 1.0
OD1 U:ASN114 3.0 57.5 1.0
NH1 U:ARG111 3.0 56.8 1.0
CB U:ASN114 3.5 52.5 1.0
CG U:ASN114 3.6 55.2 1.0
CD U:ARG111 3.7 51.5 1.0
CZ V:TYR69 3.8 56.9 1.0
CE2 V:TYR69 3.8 56.6 1.0
CZ U:ARG111 4.1 55.1 1.0
NE U:ARG111 4.3 54.0 1.0
CA U:ARG111 4.7 50.4 1.0
O U:ARG111 4.7 53.7 1.0
ND2 U:ASN114 4.8 56.0 1.0
OD2 O:ASP87 4.9 67.3 1.0
CG U:ARG111 5.0 50.0 1.0

Chlorine binding site 4 out of 4 in 4y8p

Go back to Chlorine Binding Sites List in 4y8p
Chlorine binding site 4 out of 4 in the Yeast 20S Proteasome BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep


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 BETA7-DELTA7_CTER Mutant in Complex with Ac-Pal- Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Cl201

b:97.8
occ:1.00
 NE2 b:GLN53 2.9 56.1 1.0
NH2 b:ARG45 3.4 48.2 1.0
NH1 b:ARG45 3.5 50.5 1.0
CG2 b:THR31 3.8 52.1 1.0
CB b:ALA49 3.9 45.2 1.0
CZ b:ARG45 3.9 47.7 1.0
CD b:GLN53 4.1 54.2 1.0
O V:THR119 4.2 48.3 1.0
OD1 V:ASP120 4.2 62.5 1.0
CD1 h:DCL4 4.4 76.8 1.0
CG b:GLN53 4.4 51.4 1.0
CD2 h:DCL4 4.5 75.1 1.0
CA b:ALA49 4.6 45.7 1.0
O b:ALA49 4.7 48.5 1.0
OG1 b:THR20 4.7 49.7 1.0
C b:ALA49 5.0 46.7 1.0

Reference:

E.M.Huber, G.De Bruin, W.Heinemeyer, G.Paniagua Soriano, H.S.Overkleeft, M.Groll. Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc. V. 137 7835 2015.
ISSN: ESSN 1520-5126
PubMed: 26020686
DOI: 10.1021/JACS.5B03688
Page generated: Fri Jul 11 23:15:46 2025

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