Chlorine in PDB 5l5x: Yeast 20S Proteasome with Human BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914

All present enzymatic activity of Yeast 20S Proteasome with Human BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914:
3.4.25.1;

The structure of Yeast 20S Proteasome with Human BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914, PDB code: 5l5x 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 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	136.020, 300.510, 145.450, 90.00, 112.97, 90.00
R / Rfree (%)	17.9 / 21.5

The structure of Yeast 20S Proteasome with Human BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914 also contains other interesting chemical elements:

Magnesium

(Mg)

9 atoms

The binding sites of Chlorine atom in the Yeast 20S Proteasome with Human BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914 (pdb code 5l5x). 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 BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914, PDB code: 5l5x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Yeast 20S Proteasome with Human BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914


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 BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:52.5 occ:1.00 OH H:TYR69 2.8 50.9 1.0 NH1 G:ARG111 3.0 52.6 1.0 OD1 G:ASN114 3.2 63.1 1.0 CD G:ARG111 3.5 52.6 1.0 CE2 H:TYR69 3.6 51.8 1.0 CZ H:TYR69 3.6 52.2 1.0 CB G:ASN114 3.7 56.9 1.0 CG G:ASN114 3.9 59.3 1.0 CZ G:ARG111 4.0 52.9 1.0 NE G:ARG111 4.2 52.6 1.0 CA G:ARG111 4.6 55.1 1.0 O G:ARG111 4.8 56.7 1.0 CG G:ARG111 4.8 53.9 1.0 CD2 H:TYR69 4.9 51.4 1.0 CE1 H:TYR69 4.9 51.3 1.0 CB G:ARG111 5.0 55.0 1.0

Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome with Human BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914


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 BETA5C (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Onx 0914 within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:49.8 occ:1.00 OH V:TYR69 2.9 54.2 1.0 NH1 U:ARG111 3.0 59.1 1.0 OD1 U:ASN114 3.2 55.8 1.0 CD U:ARG111 3.7 56.6 1.0 CE2 V:TYR69 3.7 56.9 1.0 CB U:ASN114 3.7 56.4 1.0 CZ V:TYR69 3.7 56.3 1.0 CG U:ASN114 3.8 57.0 1.0 CZ U:ARG111 4.0 58.4 1.0 NE U:ARG111 4.3 59.4 1.0 CA U:ARG111 4.7 54.2 1.0 O U:ARG111 4.8 59.2 1.0 CD2 V:TYR69 5.0 56.2 1.0 CG U:ARG111 5.0 54.8 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