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Chlorine in PDB 5l5t: Yeast 20S Proteasome with Human BETA5I (1-138; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16

Enzymatic activity of Yeast 20S Proteasome with Human BETA5I (1-138; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16

All present enzymatic activity of Yeast 20S Proteasome with Human BETA5I (1-138; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome with Human BETA5I (1-138; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16, PDB code: 5l5t 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 (°) 135.750, 300.020, 145.640, 90.00, 113.05, 90.00
R / Rfree (%) 17.1 / 19.5

Other elements in 5l5t:

The structure of Yeast 20S Proteasome with Human BETA5I (1-138; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16 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; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16 (pdb code 5l5t). 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; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16, PDB code: 5l5t:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5l5t

Go back to Chlorine Binding Sites List in 5l5t
Chlorine binding site 1 out of 2 in the Yeast 20S Proteasome with Human BETA5I (1-138; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16


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; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:44.5
occ:1.00
 OH H:TYR69 2.8 46.2 1.0
NH1 G:ARG111 3.1 42.4 1.0
OD1 G:ASN114 3.2 49.2 1.0
CE2 H:TYR69 3.7 45.5 1.0
CZ H:TYR69 3.7 45.5 1.0
CB G:ASN114 3.7 41.3 1.0
CD G:ARG111 3.7 39.8 1.0
CG G:ASN114 3.8 42.6 1.0
CZ G:ARG111 4.1 41.9 1.0
NE G:ARG111 4.3 41.7 1.0
CA G:ARG111 4.7 39.5 1.0
O G:ARG111 4.9 42.6 1.0
ND2 G:ASN114 4.9 41.7 1.0
CD2 H:TYR69 5.0 44.6 1.0
CE1 H:TYR69 5.0 44.9 1.0
CG G:ARG111 5.0 38.9 1.0

Chlorine binding site 2 out of 2 in 5l5t

Go back to Chlorine Binding Sites List in 5l5t
Chlorine binding site 2 out of 2 in the Yeast 20S Proteasome with Human BETA5I (1-138; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16


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; V31M) and Human BETA6 (97-111; 118-133) in Complex with Epoxyketone Inhibitor 16 within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:40.0
occ:1.00
 OH V:TYR69 2.9 49.0 1.0
NH1 U:ARG111 3.0 50.0 1.0
OD1 U:ASN114 3.2 50.6 1.0
CB U:ASN114 3.6 43.7 1.0
CD U:ARG111 3.7 44.0 1.0
CZ V:TYR69 3.7 48.6 1.0
CE2 V:TYR69 3.7 48.1 1.0
CG U:ASN114 3.8 46.5 1.0
CZ U:ARG111 4.0 48.9 1.0
NE U:ARG111 4.3 48.0 1.0
CA U:ARG111 4.7 41.4 1.0
O U:ARG111 4.8 42.7 1.0
ND2 U:ASN114 4.9 45.3 1.0
CG U:ARG111 5.0 41.9 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: Fri Jul 26 11:08:49 2024

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