Atomistry » Chlorine » PDB 4qyy-4r66 » 4qz0
Atomistry »
  Chlorine »
    PDB 4qyy-4r66 »
      4qz0 »

Chlorine in PDB 4qz0: Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914

Enzymatic activity of Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914

All present enzymatic activity of Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914:
3.4.25.1;

Protein crystallography data

The structure of Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914, PDB code: 4qz0 was solved by E.M.Huber, W.Heinemeyer, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 3.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 136.050, 299.920, 145.010, 90.00, 112.94, 90.00
R / Rfree (%) 16.9 / 20.1

Other elements in 4qz0:

The structure of Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914 also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914 (pdb code 4qz0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914, PDB code: 4qz0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4qz0

Go back to Chlorine Binding Sites List in 4qz0
Chlorine binding site 1 out of 2 in the Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:55.1
occ:1.00
OH H:TYR69 2.8 47.8 1.0
NH1 G:ARG111 3.0 46.7 1.0
OD1 G:ASN114 3.2 52.4 1.0
CB G:ASN114 3.7 49.7 1.0
CD G:ARG111 3.7 46.1 1.0
CZ H:TYR69 3.7 49.7 1.0
CE2 H:TYR69 3.8 49.9 1.0
CG G:ASN114 3.8 50.9 1.0
CZ G:ARG111 4.1 46.4 1.0
NE G:ARG111 4.3 46.0 1.0
CA G:ARG111 4.7 48.7 1.0
O G:ARG111 4.8 49.2 1.0
ND2 G:ASN114 5.0 52.3 1.0
CE1 H:TYR69 5.0 50.0 1.0
CG G:ARG111 5.0 46.1 1.0

Chlorine binding site 2 out of 2 in 4qz0

Go back to Chlorine Binding Sites List in 4qz0
Chlorine binding site 2 out of 2 in the Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ycp BETA5-M45V Mutant in Complex with the Epoxyketone Inhibitor Onx 0914 within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:51.4
occ:1.00
OH V:TYR69 2.9 52.7 1.0
NH1 U:ARG111 3.1 51.6 1.0
OD1 U:ASN114 3.1 55.3 1.0
CB U:ASN114 3.6 49.7 1.0
CE2 V:TYR69 3.7 51.9 1.0
CG U:ASN114 3.7 53.1 1.0
CZ V:TYR69 3.7 53.3 1.0
CD U:ARG111 3.8 48.7 1.0
CZ U:ARG111 4.2 52.3 1.0
NE U:ARG111 4.4 52.0 1.0
CA U:ARG111 4.7 49.3 1.0
O U:ARG111 4.8 50.5 1.0
ND2 U:ASN114 4.9 54.3 1.0
CD2 V:TYR69 5.0 52.3 1.0

Reference:

E.M.Huber, W.Heinemeyer, M.Groll. Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and Onx 0914. Structure 2015.
ISSN: ISSN 0969-2126
PubMed: 25599643
DOI: 10.1016/J.STR.2014.11.019
Page generated: Sat Dec 12 11:09:49 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