Atomistry » Chlorine » PDB 5lz9-5m7m » 5m2b
Atomistry »
  Chlorine »
    PDB 5lz9-5m7m »
      5m2b »

Chlorine in PDB 5m2b: Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19

Enzymatic activity of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19

All present enzymatic activity of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19:
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 Thiazole Based Inhibitor RO19, PDB code: 5m2b was solved by M.Groll, 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 (°) 135.160, 301.150, 145.980, 90.00, 112.81, 90.00
R / Rfree (%) 20 / 21.8

Other elements in 5m2b:

The structure of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19 also contains other interesting chemical elements:

Magnesium (Mg) 7 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 Thiazole Based Inhibitor RO19 (pdb code 5m2b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 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 Thiazole Based Inhibitor RO19, PDB code: 5m2b:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5m2b

Go back to Chlorine Binding Sites List in 5m2b
Chlorine binding site 1 out of 4 in the Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19


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 Thiazole Based Inhibitor RO19 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:30.0
occ:1.00
 OH H:TYR69 2.8 39.4 1.0
NH1 G:ARG111 3.0 35.3 1.0
OD1 G:ASN114 3.2 41.5 1.0
CD G:ARG111 3.6 35.6 1.0
CZ H:TYR69 3.6 39.8 1.0
CE2 H:TYR69 3.7 39.9 1.0
CB G:ASN114 3.8 35.7 1.0
CG G:ASN114 3.9 37.1 1.0
CZ G:ARG111 4.0 35.5 1.0
NE G:ARG111 4.2 36.0 1.0
CA G:ARG111 4.7 34.6 1.0
O G:ARG111 4.9 35.5 1.0
CE1 H:TYR69 4.9 39.8 1.0
CG G:ARG111 4.9 35.2 1.0
CD2 H:TYR69 5.0 39.6 1.0

Chlorine binding site 2 out of 4 in 5m2b

Go back to Chlorine Binding Sites List in 5m2b
Chlorine binding site 2 out of 4 in the Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19


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 Thiazole Based Inhibitor RO19 within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl202

b:53.6
occ:1.00
 NH2 N:ARG45 3.0 36.9 1.0
NH1 N:ARG45 3.3 35.9 1.0
NE2 N:GLN53 3.3 33.3 1.0
CZ N:ARG45 3.6 36.5 1.0
CG2 N:THR31 3.6 42.2 1.0
CB N:ALA49 4.2 32.3 1.0
CD N:GLN53 4.4 32.7 1.0
CG N:GLN53 4.6 32.3 1.0
OD1 H:ASP120 4.6 66.7 1.0
O H:THR119 4.8 40.8 1.0
O N:ASP32 4.8 42.1 1.0
CA N:ALA49 4.9 32.7 1.0
CD2 a:TYR228 4.9 44.1 1.0
NE N:ARG45 4.9 36.3 1.0
CB a:TYR228 4.9 48.0 1.0
OG1 N:THR20 5.0 42.0 1.0

Chlorine binding site 3 out of 4 in 5m2b

Go back to Chlorine Binding Sites List in 5m2b
Chlorine binding site 3 out of 4 in the Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19 within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:30.0
occ:1.00
 OH V:TYR69 2.9 44.0 1.0
NH1 U:ARG111 3.0 43.5 1.0
OD1 U:ASN114 3.2 41.4 1.0
CE2 V:TYR69 3.7 44.9 1.0
CZ V:TYR69 3.7 44.8 1.0
CB U:ASN114 3.7 37.4 1.0
CD U:ARG111 3.8 38.0 1.0
CG U:ASN114 3.8 38.9 1.0
CZ U:ARG111 4.1 42.4 1.0
NE U:ARG111 4.4 41.0 1.0
CA U:ARG111 4.9 35.4 1.0
O U:ARG111 4.9 36.7 1.0
CD2 V:TYR69 5.0 44.6 1.0
OD2 O:ASP87 5.0 50.0 1.0
CE1 V:TYR69 5.0 45.7 1.0

Chlorine binding site 4 out of 4 in 5m2b

Go back to Chlorine Binding Sites List in 5m2b
Chlorine binding site 4 out of 4 in the Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Thiazole Based Inhibitor RO19 within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Cl201

b:61.1
occ:1.00
 NH2 b:ARG45 3.2 35.7 1.0
NE2 b:GLN53 3.3 35.2 1.0
NH1 b:ARG45 3.4 37.0 1.0
CG2 b:THR31 3.7 42.6 1.0
CZ b:ARG45 3.7 36.0 1.0
CB b:ALA49 4.0 34.7 1.0
CD b:GLN53 4.4 34.8 1.0
OD1 V:ASP120 4.5 65.0 1.0
CG b:GLN53 4.7 34.0 1.0
O V:THR119 4.7 42.0 1.0
CA b:ALA49 4.8 35.5 1.0
OG1 b:THR20 4.9 38.8 1.0
O b:ASP32 5.0 39.5 1.0

Reference:

H.Cui, R.Baur, C.Le Chapelain, C.Dubiella, W.Heinemeyer, E.M.Huber, M.Groll. Structural Elucidation of A Nonpeptidic Inhibitor Specific For the Human Immunoproteasome. Chembiochem V. 18 523 2017.
ISSN: ESSN 1439-7633
PubMed: 28098422
DOI: 10.1002/CBIC.201700021
Page generated: Sat Dec 12 12:05:05 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy