Chlorine in PDB 5ltt: Yeast 20S Proteasome with Human BETA5I (1-138; R57T)in Complex with Pr-924

All present enzymatic activity of Yeast 20S Proteasome with Human BETA5I (1-138; R57T)in Complex with Pr-924:
3.4.25.1;

The structure of Yeast 20S Proteasome with Human BETA5I (1-138; R57T)in Complex with Pr-924, PDB code: 5ltt was solved by M.Groll, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	135.850, 300.350, 145.580, 90.00, 113.36, 90.00
R / Rfree (%)	22.3 / 24.7

The structure of Yeast 20S Proteasome with Human BETA5I (1-138; R57T)in Complex with Pr-924 also contains other interesting chemical elements:

Magnesium

(Mg)

8 atoms

The binding sites of Chlorine atom in the Yeast 20S Proteasome with Human BETA5I (1-138; R57T)in Complex with Pr-924 (pdb code 5ltt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Yeast 20S Proteasome with Human BETA5I (1-138; R57T)in Complex with Pr-924, PDB code: 5ltt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Yeast 20S Proteasome with Human BETA5I (1-138; R57T)in Complex with Pr-924


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 with Human BETA5I (1-138; R57T)in Complex with Pr-924 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:34.9 occ:1.00 OH H:TYR69 2.9 41.5 1.0 NH1 G:ARG111 3.0 39.6 1.0 OD1 G:ASN114 3.2 41.8 1.0 CD G:ARG111 3.6 37.7 1.0 CB G:ASN114 3.7 36.0 1.0 CZ H:TYR69 3.7 41.5 1.0 CE2 H:TYR69 3.8 42.8 1.0 CG G:ASN114 3.8 37.8 1.0 CZ G:ARG111 4.1 38.9 1.0 NE G:ARG111 4.3 39.0 1.0 CA G:ARG111 4.7 35.4 1.0 O G:ARG111 4.8 37.1 1.0 CG G:ARG111 4.9 36.7 1.0 OD2 A:ASP87 5.0 45.1 1.0

Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome with Human BETA5I (1-138; R57T)in Complex with Pr-924


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 with Human BETA5I (1-138; R57T)in Complex with Pr-924 within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:44.6 occ:1.00 OH V:TYR69 3.0 49.8 1.0 NH1 U:ARG111 3.0 42.5 1.0 OD1 U:ASN114 3.2 47.2 1.0 CB U:ASN114 3.5 38.9 1.0 CG U:ASN114 3.7 42.1 1.0 CD U:ARG111 3.8 40.0 1.0 CE2 V:TYR69 3.8 46.6 1.0 CZ V:TYR69 3.8 48.2 1.0 CZ U:ARG111 4.1 42.5 1.0 NE U:ARG111 4.4 42.6 1.0 O U:ARG111 4.8 37.8 1.0 CA U:ARG111 4.8 37.5 1.0 ND2 U:ASN114 4.9 42.0 1.0 O V:HOH411 4.9 43.1 1.0 OD2 O:ASP87 5.0 52.4 1.0 CA U:ASN114 5.0 37.0 1.0

E.M.Huber, W.Heinemeyer, G.De Bruin, H.S.Overkleeft, M.Groll. A Humanized Yeast Proteasome Identifies Unique Binding Modes of Inhibitors For the Immunosubunit Beta 5I. Embo J. V. 35 2602 2016.
ISSN: ESSN 1460-2075
PubMed: 27789522
DOI: 10.15252/EMBJ.201695222