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Chlorine in PDB 8olr: Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A

Enzymatic activity of Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A

All present enzymatic activity of Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A:
3.4.25.1;

Protein crystallography data

The structure of Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A, PDB code: 8olr was solved by A.Illigmann, M.-T.Vielberg, M.Lakemeyer, F.Wolf, N.Staudt, T.Dema, P.Stange, I.Malik, S.Grond, S.A.Sieber, M.Groll, L.Kaysser, H.Broetz-Oesterhelt, 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 (°) 136.96, 302.05, 146.01, 90, 113.09, 90
R / Rfree (%) 18.2 / 20.8

Other elements in 8olr:

The structure of Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A (pdb code 8olr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A, PDB code: 8olr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8olr

Go back to Chlorine Binding Sites List in 8olr
Chlorine binding site 1 out of 2 in the Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:69.4
occ:1.00
OH H:TYR69 2.8 62.4 1.0
NH1 G:ARG111 3.1 71.1 1.0
OD1 G:ASN114 3.4 65.7 1.0
CZ H:TYR69 3.6 60.2 1.0
CE2 H:TYR69 3.6 59.2 1.0
CD G:ARG111 3.8 70.6 1.0
CB G:ASN114 3.8 63.2 1.0
CG G:ASN114 4.0 64.6 1.0
CZ G:ARG111 4.1 70.4 1.0
NE G:ARG111 4.4 72.3 1.0
CA G:ARG111 4.6 63.7 1.0
O G:ARG111 4.8 64.6 1.0
CG G:ARG111 4.9 66.9 1.0
CE1 H:TYR69 4.9 62.2 1.0
CB G:ARG111 4.9 63.9 1.0
CD2 H:TYR69 4.9 59.2 1.0

Chlorine binding site 2 out of 2 in 8olr

Go back to Chlorine Binding Sites List in 8olr
Chlorine binding site 2 out of 2 in the Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Yeast 20S Proteasome in Complex with the Natural Product Beta-Lactone Inhibitor Cystargolide A within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:79.1
occ:1.00
OH V:TYR69 2.8 70.1 1.0
NH1 U:ARG111 3.2 83.5 1.0
OD1 U:ASN114 3.3 77.6 1.0
CE2 V:TYR69 3.6 68.4 1.0
CZ V:TYR69 3.6 68.5 1.0
CB U:ASN114 3.7 70.0 1.0
CG U:ASN114 3.9 74.3 1.0
CD U:ARG111 4.0 79.9 1.0
CZ U:ARG111 4.3 79.8 1.0
NE U:ARG111 4.6 81.8 1.0
CA U:ARG111 4.7 73.9 1.0
O U:ARG111 4.9 77.3 1.0
CD2 V:TYR69 4.9 67.7 1.0
CE1 V:TYR69 4.9 70.4 1.0

Reference:

A.Illigmann, M.T.Vielberg, M.Lakemeyer, F.Wolf, T.Dema, P.Stange, W.Kuttenlochner, E.Liebhart, A.Kulik, N.Staudt, I.Malik, S.Grond, S.A.Sieber, L.Kaysser, M.Groll, H.Brotz-Oesterhelt. Structure of Staphylococcus Aureus Clpp Bound to the Covalent Active Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl. 14028 2023.
ISSN: ESSN 1521-3773
PubMed: 38029352
DOI: 10.1002/ANIE.202314028
Page generated: Thu Dec 28 03:22:13 2023

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