Atomistry » Chlorine » PDB 4qv7-4qz0 » 4qwu
Atomistry »
  Chlorine »
    PDB 4qv7-4qz0 »
      4qwu »

Chlorine in PDB 4qwu: Ycp BETA5-C52F Mutant in Complex with Bortezomib

Enzymatic activity of Ycp BETA5-C52F Mutant in Complex with Bortezomib

All present enzymatic activity of Ycp BETA5-C52F Mutant in Complex with Bortezomib:
3.4.25.1;

Protein crystallography data

The structure of Ycp BETA5-C52F Mutant in Complex with Bortezomib, PDB code: 4qwu 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 (°) 135.200, 299.250, 144.850, 90.00, 113.01, 90.00
R / Rfree (%) 18.1 / 21.8

Other elements in 4qwu:

The structure of Ycp BETA5-C52F Mutant in Complex with Bortezomib also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ycp BETA5-C52F Mutant in Complex with Bortezomib (pdb code 4qwu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ycp BETA5-C52F Mutant in Complex with Bortezomib, PDB code: 4qwu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4qwu

Go back to Chlorine Binding Sites List in 4qwu
Chlorine binding site 1 out of 4 in the Ycp BETA5-C52F Mutant in Complex with Bortezomib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ycp BETA5-C52F Mutant in Complex with Bortezomib within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:35.8
occ:1.00
NH1 G:ARG111 2.9 34.3 1.0
OH H:TYR69 2.9 37.6 1.0
OD1 G:ASN114 3.4 41.2 1.0
CD G:ARG111 3.6 34.3 1.0
CZ H:TYR69 3.7 37.3 1.0
CE2 H:TYR69 3.7 37.8 1.0
CB G:ASN114 3.8 36.7 1.0
CZ G:ARG111 4.0 34.4 1.0
CG G:ASN114 4.0 38.3 1.0
NE G:ARG111 4.2 34.6 1.0
CA G:ARG111 4.7 35.5 1.0
O G:ARG111 4.8 37.5 1.0
CG G:ARG111 5.0 33.8 1.0
CE1 H:TYR69 5.0 37.2 1.0

Chlorine binding site 2 out of 4 in 4qwu

Go back to Chlorine Binding Sites List in 4qwu
Chlorine binding site 2 out of 4 in the Ycp BETA5-C52F Mutant in Complex with Bortezomib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ycp BETA5-C52F Mutant in Complex with Bortezomib within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl203

b:38.3
occ:1.00
NH2 N:ARG45 2.9 34.9 1.0
NE2 N:GLN53 3.0 28.3 1.0
NH1 N:ARG45 3.2 34.2 1.0
CZ N:ARG45 3.5 33.9 1.0
CG2 N:THR31 3.7 38.1 1.0
C25 N:BO2201 3.9 30.2 1.0
CB N:ALA49 4.0 31.9 1.0
CD N:GLN53 4.1 28.1 1.0
C24 N:BO2201 4.3 29.5 1.0
CG N:GLN53 4.4 28.8 1.0
OD1 H:ASP120 4.5 60.2 1.0
CA N:ALA49 4.6 33.2 1.0
O H:THR119 4.6 40.7 1.0
C23 N:BO2201 4.7 30.0 1.0
CB a:TYR228 4.8 40.8 1.0
NE N:ARG45 4.8 34.2 1.0
O N:ASP32 4.8 44.4 1.0
O N:ALA49 4.9 35.2 1.0
OG1 N:THR20 4.9 39.8 1.0
CD2 a:TYR228 4.9 36.4 1.0

Chlorine binding site 3 out of 4 in 4qwu

Go back to Chlorine Binding Sites List in 4qwu
Chlorine binding site 3 out of 4 in the Ycp BETA5-C52F Mutant in Complex with Bortezomib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ycp BETA5-C52F Mutant in Complex with Bortezomib within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:41.3
occ:1.00
OH V:TYR69 2.8 42.1 1.0
NH1 U:ARG111 3.1 43.1 1.0
OD1 U:ASN114 3.2 50.6 1.0
CE2 V:TYR69 3.6 44.0 1.0
CB U:ASN114 3.6 41.5 1.0
CZ V:TYR69 3.6 44.4 1.0
CG U:ASN114 3.7 45.3 1.0
CD U:ARG111 3.8 41.1 1.0
CZ U:ARG111 4.2 42.7 1.0
NE U:ARG111 4.5 42.3 1.0
CA U:ARG111 4.7 41.3 1.0
OD2 O:ASP87 4.8 52.4 1.0
O U:ARG111 4.8 40.7 1.0
ND2 U:ASN114 4.9 45.5 1.0
CD2 V:TYR69 4.9 44.4 1.0
CE1 V:TYR69 5.0 45.6 1.0

Chlorine binding site 4 out of 4 in 4qwu

Go back to Chlorine Binding Sites List in 4qwu
Chlorine binding site 4 out of 4 in the Ycp BETA5-C52F Mutant in Complex with Bortezomib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ycp BETA5-C52F Mutant in Complex with Bortezomib within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Cl202

b:51.5
occ:1.00
NE2 b:GLN53 3.0 33.0 1.0
NH2 b:ARG45 3.1 39.7 1.0
CG2 b:THR31 3.5 42.9 1.0
NH1 b:ARG45 3.6 41.1 1.0
CZ b:ARG45 3.8 39.2 1.0
CB b:ALA49 4.0 35.9 1.0
C25 b:BO2201 4.0 36.7 1.0
OD1 V:ASP120 4.1 62.3 1.0
CD b:GLN53 4.2 32.2 1.0
O V:THR119 4.4 40.0 1.0
CG b:GLN53 4.5 33.2 1.0
C24 b:BO2201 4.6 36.2 1.0
CB M:TYR228 4.6 44.0 1.0
CA b:ALA49 4.7 36.4 1.0
OG1 b:THR20 4.7 38.7 1.0
O b:ASP32 4.9 47.0 1.0
C23 b:BO2201 4.9 36.6 1.0
CB b:THR31 5.0 43.7 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: Fri Jul 11 21:07:47 2025

Last articles

F in 7QZ7
F in 7R9F
F in 7R7R
F in 7R53
F in 7R3V
F in 7R7K
F in 7QZ9
F in 7QZ8
F in 7R2B
F in 7R26
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy