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Chlorine in PDB 5l5i: Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9

Enzymatic activity of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9

All present enzymatic activity of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9, PDB code: 5l5i 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 (°) 135.710, 299.420, 145.970, 90.00, 112.82, 90.00
R / Rfree (%) 17.6 / 21

Other elements in 5l5i:

The structure of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9 also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9 (pdb code 5l5i). 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) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9, PDB code: 5l5i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5l5i

Go back to Chlorine Binding Sites List in 5l5i
Chlorine binding site 1 out of 2 in the Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9


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) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:51.4
occ:1.00
OH H:TYR69 2.9 44.0 1.0
NH1 G:ARG111 3.0 45.2 1.0
OD1 G:ASN114 3.2 52.0 1.0
CB G:ASN114 3.6 46.4 1.0
CD G:ARG111 3.7 44.4 1.0
CZ H:TYR69 3.7 45.3 1.0
CG G:ASN114 3.7 47.6 1.0
CE2 H:TYR69 3.8 46.8 1.0
CZ G:ARG111 4.1 46.1 1.0
NE G:ARG111 4.3 46.6 1.0
CA G:ARG111 4.7 44.2 1.0
O G:ARG111 4.8 49.9 1.0
ND2 G:ASN114 4.9 46.6 1.0

Chlorine binding site 2 out of 2 in 5l5i

Go back to Chlorine Binding Sites List in 5l5i
Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9


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) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 9 within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:46.0
occ:1.00
OH V:TYR69 3.0 45.1 1.0
NH1 U:ARG111 3.0 53.3 1.0
OD1 U:ASN114 3.2 56.0 1.0
CB U:ASN114 3.6 47.5 1.0
CG U:ASN114 3.7 51.1 1.0
CD U:ARG111 3.7 49.0 1.0
CE2 V:TYR69 3.8 50.3 1.0
CZ V:TYR69 3.8 50.8 1.0
CZ U:ARG111 4.1 51.7 1.0
NE U:ARG111 4.3 51.2 1.0
CA U:ARG111 4.7 46.6 1.0
O U:ARG111 4.8 48.0 1.0
ND2 U:ASN114 4.9 51.0 1.0
OD2 O:ASP87 5.0 63.2 1.0

Reference:

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
Page generated: Sat Jul 12 04:23:06 2025

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