Atomistry » Chlorine » PDB 5l5a-5l79 » 5l5p
Atomistry »
  Chlorine »
    PDB 5l5a-5l79 »
      5l5p »

Chlorine in PDB 5l5p: Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 17

Enzymatic activity of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 17

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 17:
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 17, PDB code: 5l5p 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 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 135.370, 300.420, 145.650, 90.00, 112.78, 90.00
R / Rfree (%) 18.5 / 20.7

Other elements in 5l5p:

The structure of Yeast 20S Proteasome with Human BETA5I (1-138) and Human BETA6 (97- 111; 118-133) in Complex with Epoxyketone Inhibitor 17 also contains other interesting chemical elements:

Magnesium (Mg) 9 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 17 (pdb code 5l5p). 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 17, PDB code: 5l5p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5l5p

Go back to Chlorine Binding Sites List in 5l5p
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 17


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 17 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:42.7
occ:1.00
 OH H:TYR69 2.8 39.2 1.0
NH1 G:ARG111 3.1 34.7 1.0
OD1 G:ASN114 3.2 40.5 1.0
CE2 H:TYR69 3.6 37.0 1.0
CZ H:TYR69 3.6 37.9 1.0
CD G:ARG111 3.7 34.5 1.0
CB G:ASN114 3.8 33.6 1.0
CG G:ASN114 3.9 35.5 1.0
CZ G:ARG111 4.2 35.5 1.0
O A:HOH312 4.2 38.7 1.0
NE G:ARG111 4.4 35.8 1.0
O H:HOH422 4.4 43.9 1.0
CA G:ARG111 4.7 33.6 1.0
CD2 H:TYR69 4.9 36.0 1.0
CE1 H:TYR69 4.9 37.9 1.0
O G:ARG111 4.9 33.5 1.0
OD2 A:ASP87 5.0 44.9 1.0

Chlorine binding site 2 out of 2 in 5l5p

Go back to Chlorine Binding Sites List in 5l5p
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 17


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 17 within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:37.4
occ:1.00
 OH V:TYR69 3.0 42.5 1.0
NH1 U:ARG111 3.0 43.0 1.0
OD1 U:ASN114 3.2 42.0 1.0
CB U:ASN114 3.6 37.4 1.0
CD U:ARG111 3.7 39.1 1.0
CG U:ASN114 3.8 39.0 1.0
CE2 V:TYR69 3.8 41.2 1.0
CZ V:TYR69 3.8 41.7 1.0
CZ U:ARG111 4.1 42.6 1.0
NE U:ARG111 4.3 41.6 1.0
O V:HOH418 4.6 49.2 1.0
CA U:ARG111 4.8 36.9 1.0
O U:ARG111 4.8 37.9 1.0
ND2 U:ASN114 5.0 38.9 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 11:07:27 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy