Atomistry » Potassium » PDB 5ksd-5mq0 » 5lez
Atomistry »
  Potassium »
    PDB 5ksd-5mq0 »
      5lez »

Potassium in PDB 5lez: Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom

Enzymatic activity of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom

All present enzymatic activity of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom:
3.4.25.1;

Protein crystallography data

The structure of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom, PDB code: 5lez was solved by J.Schrader, F.Henneberg, R.Mata, K.Tittmann, T.R.Schneider, H.Stark, G.Bourenkov, A.Chari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 170.81 / 2.19
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 113.860, 203.230, 315.220, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 22.2

Other elements in 5lez:

The structure of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom also contains other interesting chemical elements:

Magnesium (Mg) 10 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom (pdb code 5lez). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom, PDB code: 5lez:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6;

Potassium binding site 1 out of 6 in 5lez

Go back to Potassium Binding Sites List in 5lez
Potassium binding site 1 out of 6 in the Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K301

b:59.5
occ:1.00
 O G:MET131 2.5 52.2 1.0
O G:TYR125 2.5 47.6 1.0
O G:ASN128 2.6 50.8 1.0
O G:HOH440 2.6 46.1 1.0
OG1 G:THR14 2.7 52.8 1.0
CG2 G:THR14 3.5 49.0 1.0
C G:ASN128 3.6 46.7 1.0
C G:TYR125 3.6 44.7 1.0
CB G:THR14 3.7 49.1 1.0
C G:MET131 3.7 49.6 1.0
CA G:ALA129 4.0 47.1 1.0
C G:ALA129 4.1 46.5 1.0
O G:ALA129 4.1 46.8 1.0
O F:HOH322 4.1 42.9 1.0
N G:ALA129 4.2 45.9 1.0
SD G:MET131 4.3 55.1 1.0
CA G:TYR125 4.3 45.8 1.0
N G:MET131 4.4 46.3 1.0
N G:THR14 4.5 45.5 1.0
CA G:ARG132 4.5 45.1 1.0
N G:ASN128 4.5 44.3 1.0
N G:ARG132 4.6 47.6 1.0
CD G:PRO133 4.6 45.9 1.0
N G:THR126 4.6 44.0 1.0
CA G:MET131 4.6 49.7 1.0
CA G:ASN128 4.7 46.3 1.0
CA G:THR14 4.7 47.5 1.0
CA G:THR126 4.7 44.2 1.0
N G:GLU130 4.7 45.9 1.0
CB G:TYR125 4.8 46.6 1.0
C G:THR126 4.8 44.0 1.0
C G:ARG132 4.8 44.2 1.0
CG G:MET131 4.8 51.4 1.0
N G:PRO133 4.9 44.0 1.0
O G:HOH506 4.9 48.7 1.0
N G:GLN127 4.9 44.0 1.0

Potassium binding site 2 out of 6 in 5lez

Go back to Potassium Binding Sites List in 5lez
Potassium binding site 2 out of 6 in the Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K302

b:77.1
occ:1.00
 O L:HOH436 2.5 62.5 1.0
O L:ALA183 2.6 82.3 1.0
O L:THR189 2.6 75.3 1.0
O L:ASP186 2.6 74.1 1.0
O L:HOH475 3.3 66.0 1.0
C L:ALA183 3.5 74.1 1.0
C L:THR189 3.7 66.2 1.0
C L:ASP186 3.7 65.8 1.0
CA L:ALA183 3.8 72.3 1.0
O L:VAL187 4.0 60.7 1.0
O L:HOH424 4.0 56.0 1.0
OXT L:ASP213 4.0 73.7 1.0
CA L:VAL187 4.0 61.8 1.0
NH1 L:ARG28 4.1 67.0 1.0
C L:VAL187 4.1 60.2 1.0
N L:VAL187 4.3 64.0 1.0
N L:THR189 4.3 61.5 1.0
CB L:ALA183 4.4 72.5 1.0
CA L:THR189 4.6 64.5 1.0
N L:GLY190 4.6 65.8 1.0
CA L:GLY190 4.7 66.3 1.0
N L:GLU184 4.7 73.6 1.0
O L:ALA182 4.8 68.8 1.0
N L:ASP186 4.8 64.7 1.0
N L:TYR188 4.9 58.6 1.0
CA L:ASP186 4.9 64.8 1.0
NH2 V:ARG19 4.9 64.9 1.0
C L:ASP213 5.0 73.6 1.0

Potassium binding site 3 out of 6 in 5lez

Go back to Potassium Binding Sites List in 5lez
Potassium binding site 3 out of 6 in the Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
N:K302

b:56.3
occ:1.00
 O N:HOH540 2.3 49.4 1.0
O N:MET164 2.5 49.8 1.0
O N:HOH516 2.6 44.5 1.0
O N:SER170 2.6 47.4 1.0
O N:ASP167 2.6 43.1 1.0
O N:HOH480 3.3 58.6 1.0
C N:ASP167 3.6 38.9 1.0
C N:SER170 3.7 41.6 1.0
C N:MET164 3.7 44.9 1.0
NH1 N:ARG19 3.8 40.5 1.0
CA N:GLY168 4.0 38.9 1.0
N N:GLY168 4.1 39.4 1.0
O N:HOH406 4.2 76.4 1.0
O N:GLY168 4.2 39.3 1.0
C N:GLY168 4.3 38.7 1.0
CZ N:ARG19 4.3 40.2 1.0
CA N:GLY171 4.4 39.7 1.0
CA N:MET164 4.4 41.4 1.0
N N:SER170 4.5 38.8 1.0
N N:GLY171 4.5 40.3 1.0
N N:ASP167 4.5 41.1 1.0
O N:GLU165 4.5 46.5 1.0
NH2 N:ARG19 4.6 41.8 1.0
C N:GLU165 4.6 45.7 1.0
CA N:SER170 4.6 39.5 1.0
CA N:ASP167 4.6 39.2 1.0
N N:GLU165 4.7 45.5 1.0
O a:HOH521 4.7 43.7 1.0
CA N:GLU165 4.8 49.0 1.0
CB N:MET164 4.9 41.1 1.0
O N:HOH511 5.0 49.5 1.0

Potassium binding site 4 out of 6 in 5lez

Go back to Potassium Binding Sites List in 5lez
Potassium binding site 4 out of 6 in the Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
U:K302

b:62.3
occ:1.00
 O U:MET131 2.5 64.8 1.0
O U:ASN128 2.5 62.5 1.0
O U:TYR125 2.6 63.6 1.0
OG1 U:THR14 2.8 65.9 1.0
O U:HOH442 2.8 60.3 1.0
CG2 U:THR14 3.5 63.7 1.0
C U:ASN128 3.6 57.2 1.0
C U:TYR125 3.6 60.1 1.0
C U:MET131 3.7 61.2 1.0
CB U:THR14 3.7 62.3 1.0
CA U:ALA129 4.0 55.3 1.0
C U:ALA129 4.1 55.8 1.0
O U:ALA129 4.1 54.3 1.0
O T:HOH310 4.2 52.8 1.0
N U:ALA129 4.2 55.3 1.0
SD U:MET131 4.3 71.7 1.0
N U:MET131 4.3 59.2 1.0
CA U:TYR125 4.3 59.3 1.0
N U:THR14 4.5 59.7 1.0
CA U:ARG132 4.5 57.1 1.0
N U:ASN128 4.5 56.3 1.0
N U:ARG132 4.5 58.9 1.0
CD U:PRO133 4.6 58.3 1.0
N U:THR126 4.6 60.0 1.0
CA U:MET131 4.6 62.4 1.0
CA U:ASN128 4.6 57.2 1.0
N U:GLU130 4.7 58.5 1.0
CA U:THR14 4.7 60.8 1.0
CA U:THR126 4.8 58.8 1.0
CB U:TYR125 4.8 60.1 1.0
C U:ARG132 4.8 56.0 1.0
C U:THR126 4.8 58.6 1.0
CG U:MET131 4.9 64.8 1.0
O U:HOH441 4.9 59.6 1.0
N U:PRO133 4.9 57.0 1.0
N U:GLN127 5.0 56.6 1.0

Potassium binding site 5 out of 6 in 5lez

Go back to Potassium Binding Sites List in 5lez
Potassium binding site 5 out of 6 in the Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:K301

b:67.4
occ:1.00
 O Z:HOH429 2.4 53.2 1.0
O Z:ALA183 2.6 58.6 1.0
O Z:THR189 2.6 56.4 1.0
O Z:ASP186 2.6 52.2 1.0
O Z:HOH445 3.3 59.5 1.0
C Z:ALA183 3.5 52.6 1.0
C Z:THR189 3.7 49.3 1.0
C Z:ASP186 3.7 47.2 1.0
CA Z:ALA183 3.8 50.0 1.0
O Z:VAL187 4.0 45.1 1.0
CA Z:VAL187 4.0 46.9 1.0
OXT Z:ASP213 4.1 62.8 1.0
C Z:VAL187 4.1 45.6 1.0
NH1 Z:ARG28 4.1 52.7 1.0
O Z:HOH428 4.2 55.9 1.0
N Z:THR189 4.3 45.3 1.0
N Z:VAL187 4.3 47.0 1.0
CB Z:ALA183 4.3 50.2 1.0
CA Z:THR189 4.5 46.9 1.0
N Z:GLY190 4.6 49.1 1.0
CA Z:GLY190 4.6 50.0 1.0
N Z:GLU184 4.7 51.9 1.0
O Z:ALA182 4.7 49.2 1.0
N Z:ASP186 4.8 47.6 1.0
N Z:TYR188 4.9 45.2 1.0
CA Z:ASP186 4.9 46.4 1.0
OD1 Z:ASP213 5.0 55.2 1.0
CB Z:THR189 5.0 47.4 1.0

Potassium binding site 6 out of 6 in 5lez

Go back to Potassium Binding Sites List in 5lez
Potassium binding site 6 out of 6 in the Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Human 20S Proteasome Complex with Oprozomib in Mg-Acetate at 2.2 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
b:K301

b:60.7
occ:1.00
 O b:HOH497 2.5 53.0 1.0
O b:HOH478 2.5 44.6 1.0
O b:MET164 2.5 56.3 1.0
O b:SER170 2.6 56.4 1.0
O b:ASP167 2.6 51.2 1.0
O b:HOH461 3.3 69.4 1.0
C b:ASP167 3.6 46.2 1.0
C b:MET164 3.7 51.0 1.0
C b:SER170 3.7 48.6 1.0
NH1 b:ARG19 3.8 49.5 1.0
CA b:GLY168 4.0 46.0 1.0
N b:GLY168 4.1 45.4 1.0
O b:GLY168 4.3 46.1 1.0
C b:GLY168 4.3 45.2 1.0
CZ b:ARG19 4.4 49.7 1.0
CA b:MET164 4.4 47.7 1.0
CA b:GLY171 4.4 48.9 1.0
O M:HOH362 4.4 48.3 1.0
N b:SER170 4.5 46.8 1.0
N b:ASP167 4.5 46.4 1.0
O b:GLU165 4.5 47.7 1.0
N b:GLY171 4.5 48.4 1.0
C b:GLU165 4.6 49.4 1.0
NH2 b:ARG19 4.6 49.9 1.0
CA b:ASP167 4.6 45.5 1.0
CA b:SER170 4.6 47.7 1.0
N b:GLU165 4.7 51.2 1.0
CA b:GLU165 4.8 52.9 1.0
CB b:MET164 4.9 48.4 1.0

Reference:

J.Schrader, F.Henneberg, R.A.Mata, K.Tittmann, T.R.Schneider, H.Stark, G.Bourenkov, A.Chari. The Inhibition Mechanism of Human 20S Proteasomes Enables Next-Generation Inhibitor Design. Science V. 353 594 2016.
ISSN: ESSN 1095-9203
PubMed: 27493187
DOI: 10.1126/SCIENCE.AAF8993
Page generated: Sat Aug 9 09:27:59 2025

Last articles

Mg in 3ZOZ
Mg in 3ZOA
Mg in 3ZNU
Mg in 3ZO9
Mg in 3ZM7
Mg in 3ZMC
Mg in 3ZN8
Mg in 3ZKD
Mg in 3ZLB
Mg in 3ZLM
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy