Bromine in PDB 7uw0: Crystal Structure of Human Clpp Protease in Complex with Tr-133

Enzymatic activity of Crystal Structure of Human Clpp Protease in Complex with Tr-133

All present enzymatic activity of Crystal Structure of Human Clpp Protease in Complex with Tr-133:
3.4.21.92;

Protein crystallography data

The structure of Crystal Structure of Human Clpp Protease in Complex with Tr-133, PDB code: 7uw0 was solved by M.F.Mabanglo, W.A.Houry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.69 / 2.80
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 105.66, 153.798, 133.208, 90, 107.03, 90
R / Rfree (%) 26 / 30.9

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human Clpp Protease in Complex with Tr-133 (pdb code 7uw0). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 7 binding sites of Bromine where determined in the Crystal Structure of Human Clpp Protease in Complex with Tr-133, PDB code: 7uw0:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in 7uw0

Go back to Bromine Binding Sites List in 7uw0
Bromine binding site 1 out of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-133


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human Clpp Protease in Complex with Tr-133 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:49.0
occ:1.00
BR21 A:P4I301 0.0 49.0 1.0
C20 A:P4I301 1.9 29.4 1.0
C22 A:P4I301 2.9 22.7 1.0
C19 A:P4I301 2.9 27.7 1.0
CD2 A:LEU79 3.6 25.1 1.0
CG A:ARG78 3.7 26.8 1.0
CB G:PHE105 3.7 16.0 1.0
CA G:PHE105 4.0 15.8 1.0
C23 A:P4I301 4.2 17.7 1.0
C18 A:P4I301 4.2 34.9 1.0
CG A:LEU79 4.3 21.9 1.0
O G:ALA101 4.3 20.1 1.0
N G:PHE105 4.3 18.6 1.0
CD1 G:PHE105 4.4 22.8 1.0
N A:LEU79 4.4 25.3 1.0
CB A:ARG78 4.4 30.4 1.0
O A:ILE75 4.5 24.5 1.0
CG G:PHE105 4.5 21.8 1.0
CG1 A:ILE75 4.5 15.8 1.0
CA A:LEU79 4.5 20.4 1.0
C A:ARG78 4.6 25.4 1.0
C17 A:P4I301 4.7 25.3 1.0
O A:ARG78 4.8 20.3 1.0
CD A:ARG78 4.8 16.9 1.0
CB A:LEU79 4.9 21.3 1.0
NE A:ARG78 5.0 33.6 1.0
CD1 A:ILE75 5.0 16.9 1.0

Bromine binding site 2 out of 7 in 7uw0

Go back to Bromine Binding Sites List in 7uw0
Bromine binding site 2 out of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-133


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Human Clpp Protease in Complex with Tr-133 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:53.6
occ:1.00
BR21 B:P4I301 0.0 53.6 1.0
C20 B:P4I301 1.9 28.5 1.0
C22 B:P4I301 2.9 28.3 1.0
C19 B:P4I301 2.9 25.8 1.0
CD1 B:LEU79 3.6 29.8 1.0
CB A:PHE105 3.6 21.1 1.0
CG B:ARG78 3.9 29.1 1.0
CA A:PHE105 4.0 19.8 1.0
CD1 B:ILE75 4.2 23.9 1.0
C23 B:P4I301 4.2 26.5 1.0
C18 B:P4I301 4.2 30.1 1.0
O A:ALA101 4.2 24.2 1.0
N B:LEU79 4.3 30.8 1.0
N A:PHE105 4.4 21.4 1.0
CB B:ARG78 4.4 34.9 1.0
CG A:PHE105 4.4 30.3 1.0
CA B:LEU79 4.4 22.5 1.0
CD1 A:PHE105 4.4 28.7 1.0
C B:ARG78 4.4 30.0 1.0
O B:ARG78 4.6 25.3 1.0
O B:ILE75 4.6 27.0 1.0
C17 B:P4I301 4.7 28.3 1.0
CB B:LEU79 4.8 33.0 1.0
CG B:LEU79 4.8 35.3 1.0
NH1 B:ARG78 4.8 39.8 1.0
CG1 B:ILE75 4.9 23.4 1.0

Bromine binding site 3 out of 7 in 7uw0

Go back to Bromine Binding Sites List in 7uw0
Bromine binding site 3 out of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-133


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Human Clpp Protease in Complex with Tr-133 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br301

b:45.0
occ:1.00
BR21 C:P4I301 0.0 45.0 1.0
C20 C:P4I301 1.9 34.9 1.0
C22 C:P4I301 2.9 29.4 1.0
C19 C:P4I301 2.9 25.3 1.0
CD2 C:LEU79 3.6 19.3 1.0
CB B:PHE105 3.8 18.7 1.0
CG C:ARG78 3.9 26.6 1.0
CG C:LEU79 3.9 29.4 1.0
O B:ALA101 4.0 17.7 1.0
C23 C:P4I301 4.2 29.9 1.0
C18 C:P4I301 4.2 28.5 1.0
CA B:PHE105 4.2 22.8 1.0
NH1 C:ARG78 4.3 33.0 1.0
N C:LEU79 4.4 29.9 1.0
CD1 C:ILE75 4.4 15.4 1.0
N B:PHE105 4.4 23.4 1.0
CA C:LEU79 4.5 21.2 1.0
O C:ILE75 4.5 27.3 1.0
CB C:ARG78 4.5 23.0 1.0
CG1 C:ILE75 4.6 16.0 1.0
C C:ARG78 4.6 27.2 1.0
CD1 B:PHE105 4.6 29.9 1.0
CG B:PHE105 4.7 24.6 1.0
C17 C:P4I301 4.7 28.2 1.0
O C:ARG78 4.7 29.9 1.0
CB C:LEU79 4.8 23.6 1.0
C B:ALA101 5.0 16.4 1.0
CZ C:ARG78 5.0 42.3 1.0

Bromine binding site 4 out of 7 in 7uw0

Go back to Bromine Binding Sites List in 7uw0
Bromine binding site 4 out of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-133


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Human Clpp Protease in Complex with Tr-133 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br301

b:42.5
occ:1.00
BR21 D:P4I301 0.0 42.5 1.0
C20 D:P4I301 1.9 31.9 1.0
C22 D:P4I301 2.9 28.4 1.0
C19 D:P4I301 2.9 23.8 1.0
CG D:ARG78 3.7 25.5 1.0
CG D:LEU79 3.7 29.0 1.0
CB C:PHE105 3.9 18.9 1.0
N D:LEU79 4.0 22.9 1.0
C23 D:P4I301 4.2 24.2 1.0
CA D:LEU79 4.2 26.3 1.0
CA C:PHE105 4.2 18.3 1.0
C18 D:P4I301 4.2 23.5 1.0
CG1 D:ILE75 4.3 15.6 1.0
CD2 D:LEU79 4.3 29.7 1.0
C D:ARG78 4.3 20.8 1.0
CB D:ARG78 4.3 23.6 1.0
CD1 C:PHE105 4.4 26.8 1.0
O C:ALA101 4.4 12.8 1.0
CD1 D:LEU79 4.4 32.9 1.0
O D:ILE75 4.4 22.9 1.0
CB D:LEU79 4.5 22.6 1.0
N C:PHE105 4.5 21.3 1.0
O D:ARG78 4.6 21.2 1.0
CG C:PHE105 4.6 20.4 1.0
C17 D:P4I301 4.7 27.6 1.0
NH1 D:ARG78 4.8 21.4 1.0
CD D:ARG78 4.9 25.1 1.0
CD1 D:ILE75 4.9 15.4 1.0

Bromine binding site 5 out of 7 in 7uw0

Go back to Bromine Binding Sites List in 7uw0
Bromine binding site 5 out of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-133


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Human Clpp Protease in Complex with Tr-133 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br301

b:39.1
occ:1.00
BR21 E:P4I301 0.0 39.1 1.0
C20 E:P4I301 1.9 32.6 1.0
C22 E:P4I301 2.9 29.9 1.0
C19 E:P4I301 2.9 26.3 1.0
CD E:ARG78 3.6 32.0 1.0
CD2 E:LEU79 3.6 21.1 1.0
CB D:PHE105 3.6 16.4 1.0
CA D:PHE105 4.0 17.3 1.0
O D:ALA101 4.0 14.0 1.0
C23 E:P4I301 4.2 24.4 1.0
C18 E:P4I301 4.2 36.1 1.0
N D:PHE105 4.2 16.0 1.0
CG E:LEU79 4.3 20.8 1.0
N E:LEU79 4.4 19.6 1.0
NE E:ARG78 4.4 33.8 1.0
O E:ILE75 4.4 23.5 1.0
CG D:PHE105 4.5 19.0 1.0
CD1 D:PHE105 4.5 22.9 1.0
CG1 E:ILE75 4.5 18.3 1.0
CA E:LEU79 4.6 15.9 1.0
C E:ARG78 4.6 21.0 1.0
CB E:ARG78 4.6 22.7 1.0
O E:ARG78 4.7 16.5 1.0
CG E:ARG78 4.7 21.6 1.0
C17 E:P4I301 4.7 30.4 1.0
CG E:GLU82 4.8 23.8 1.0
CD1 E:ILE75 4.9 27.8 1.0
CB E:LEU79 4.9 24.2 1.0
C D:LEU104 4.9 21.3 1.0
C D:ALA101 4.9 15.9 1.0

Bromine binding site 6 out of 7 in 7uw0

Go back to Bromine Binding Sites List in 7uw0
Bromine binding site 6 out of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-133


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Human Clpp Protease in Complex with Tr-133 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br301

b:53.0
occ:1.00
BR21 F:P4I301 0.0 53.0 1.0
C20 F:P4I301 1.9 26.1 1.0
C22 F:P4I301 2.9 27.1 1.0
C19 F:P4I301 2.9 21.9 1.0
CD2 F:LEU79 3.5 14.2 1.0
CG F:ARG78 3.5 24.1 1.0
CB E:PHE105 3.7 13.5 1.0
CA E:PHE105 4.1 14.8 1.0
CD1 E:PHE105 4.2 23.8 1.0
C23 F:P4I301 4.2 30.6 1.0
C18 F:P4I301 4.2 24.7 1.0
CB F:ARG78 4.2 19.0 1.0
O E:ALA101 4.3 16.2 1.0
N F:LEU79 4.3 18.8 1.0
C F:ARG78 4.4 17.2 1.0
CG F:LEU79 4.4 18.6 1.0
N E:PHE105 4.4 17.5 1.0
CA F:LEU79 4.4 14.3 1.0
CG E:PHE105 4.4 16.8 1.0
O F:ARG78 4.5 16.3 1.0
O F:ILE75 4.5 15.8 1.0
CD1 F:ILE75 4.6 15.2 1.0
CG1 F:ILE75 4.6 8.7 1.0
CD F:ARG78 4.7 23.1 1.0
C17 F:P4I301 4.7 24.4 1.0
NH1 F:ARG78 4.9 23.7 1.0
CA F:ARG78 5.0 22.9 1.0
NE F:ARG78 5.0 39.1 1.0
CB F:LEU79 5.0 15.6 1.0

Bromine binding site 7 out of 7 in 7uw0

Go back to Bromine Binding Sites List in 7uw0
Bromine binding site 7 out of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-133


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Human Clpp Protease in Complex with Tr-133 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br301

b:39.4
occ:1.00
BR21 G:P4I301 0.0 39.4 1.0
C20 G:P4I301 1.9 26.9 1.0
C22 G:P4I301 2.9 25.0 1.0
C19 G:P4I301 2.9 30.3 1.0
CB F:PHE105 3.5 23.4 1.0
CD2 G:LEU79 3.7 21.4 1.0
CG G:ARG78 3.9 20.7 1.0
CA F:PHE105 3.9 23.1 1.0
C23 G:P4I301 4.2 25.6 1.0
CD1 F:PHE105 4.2 23.0 1.0
N F:PHE105 4.2 24.0 1.0
C18 G:P4I301 4.2 34.0 1.0
O F:ALA101 4.3 18.6 1.0
CG G:LEU79 4.3 26.1 1.0
CG F:PHE105 4.3 25.6 1.0
N G:LEU79 4.5 24.6 1.0
O G:ARG78 4.5 20.6 1.0
C G:ARG78 4.5 23.4 1.0
NH1 G:ARG78 4.5 30.6 1.0
CB G:ARG78 4.5 20.4 1.0
CA G:LEU79 4.6 20.1 1.0
O G:ILE75 4.6 20.7 1.0
CG1 G:ILE75 4.6 20.3 1.0
C17 G:P4I301 4.7 26.6 1.0
CG G:GLU82 4.8 26.9 1.0
CD1 G:ILE75 4.9 20.2 1.0
C F:LEU104 5.0 23.4 1.0
CZ G:ARG78 5.0 31.0 1.0
CB G:LEU79 5.0 27.0 1.0

Reference:

M.F.Mabanglo, K.S.Wong, M.M.Barghash, E.Leung, S.H.W.Chuang, A.Ardalan, E.M.Majaesic, C.J.Wong, S.Zhang, H.Lang, D.S.Karanewsky, A.A.Iwanowicz, L.M.Graves, E.J.Iwanowicz, A.C.Gingras, W.A.Houry. Potent Clpp Agonists with Anticancer Properties Bind with Improved Structural Complementarity and Alter the Mitochondrial N-Terminome. Structure 2022.
ISSN: ISSN 0969-2126
PubMed: 36586405
DOI: 10.1016/J.STR.2022.12.002
Page generated: Tue Apr 4 17:40:25 2023

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