Bromine in PDB 7vp9: Crystal Structure of Human Clpp in Complex with ZG111

Enzymatic activity of Crystal Structure of Human Clpp in Complex with ZG111

All present enzymatic activity of Crystal Structure of Human Clpp in Complex with ZG111:
3.4.21.92;

Protein crystallography data

The structure of Crystal Structure of Human Clpp in Complex with ZG111, PDB code: 7vp9 was solved by P.Y.Wang, J.H.Gan, C.-G.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.84 / 2.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 103.806, 97.408, 146.686, 90, 90.63, 90
R / Rfree (%) 20.2 / 23.2

Other elements in 7vp9:

The structure of Crystal Structure of Human Clpp in Complex with ZG111 also contains other interesting chemical elements:

Magnesium (Mg) 14 atoms

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of Human Clpp in Complex with ZG111 (pdb code 7vp9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 14 binding sites of Bromine where determined in the Crystal Structure of Human Clpp in Complex with ZG111, PDB code: 7vp9:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 14 in 7vp9

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Bromine binding site 1 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


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 in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:97.9
occ:1.00
 BR1 A:7SR301 0.0 97.9 1.0
C39 A:7SR301 2.0 87.2 1.0
C38 A:7SR301 2.9 83.8 1.0
C41 A:7SR301 2.9 84.7 1.0
CD1 A:ILE75 3.3 75.6 1.0
CG A:ARG78 3.7 78.7 1.0
O A:ILE75 3.7 55.6 1.0
CB G:PHE105 3.8 62.7 1.0
CG A:LEU79 3.9 69.2 1.0
CG1 A:ILE75 3.9 72.0 1.0
N A:LEU79 3.9 75.2 1.0
CB A:ARG78 4.0 79.2 1.0
O G:ALA101 4.1 61.0 1.0
C37 A:7SR301 4.2 81.6 1.0
C42 A:7SR301 4.2 83.0 1.0
CA A:LEU79 4.2 72.5 1.0
C A:ARG78 4.3 75.1 1.0
CD2 A:LEU79 4.3 68.6 1.0
CG G:PHE105 4.4 72.2 1.0
CD1 G:PHE105 4.4 79.5 1.0
CB A:LEU79 4.5 72.2 1.0
CA G:PHE105 4.5 64.5 1.0
C A:ILE75 4.7 66.1 1.0
O A:ARG78 4.7 75.4 1.0
C36 A:7SR301 4.7 81.1 1.0
CA A:ARG78 4.8 76.9 1.0
N G:PHE105 4.8 65.9 1.0
C G:ALA101 4.9 63.0 1.0
CA A:ILE75 4.9 76.9 1.0
CD1 A:LEU79 4.9 66.7 1.0

Bromine binding site 2 out of 14 in 7vp9

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Bromine binding site 2 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


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 in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br302

b:114.8
occ:1.00
 BR1 A:7SR302 0.0 114.8 1.0
C39 A:7SR302 2.0 112.7 1.0
C41 A:7SR302 2.9 111.9 1.0
C38 A:7SR302 2.9 112.5 1.0
CD1 B:LEU79 3.3 80.2 1.0
CB A:PHE105 3.3 80.1 1.0
N B:LEU79 3.8 76.3 1.0
CG B:ARG78 3.8 72.7 1.0
CB B:LEU79 3.8 75.2 1.0
CA B:LEU79 3.8 76.3 1.0
O B:ILE75 3.8 65.5 1.0
CG B:LEU79 3.8 77.2 1.0
CG1 B:ILE75 3.8 74.7 1.0
CD1 A:PHE105 3.9 88.7 1.0
O A:ALA101 4.0 65.8 1.0
CG A:PHE105 4.0 84.1 1.0
CA A:PHE105 4.1 76.2 1.0
C B:ARG78 4.2 77.6 1.0
C42 A:7SR302 4.2 112.3 1.0
C37 A:7SR302 4.2 111.9 1.0
CB B:ARG78 4.2 75.1 1.0
N A:PHE105 4.4 74.2 1.0
CD1 B:ILE75 4.4 76.2 1.0
O B:ARG78 4.5 78.4 1.0
C36 A:7SR302 4.7 112.1 1.0
C B:ILE75 4.8 69.8 1.0
CA B:ARG78 4.9 78.2 1.0
C A:ALA101 4.9 66.6 1.0
CE1 A:PHE105 5.0 89.6 1.0

Bromine binding site 3 out of 14 in 7vp9

Go back to Bromine Binding Sites List in 7vp9
Bromine binding site 3 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


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 in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:107.9
occ:1.00
 BR1 B:7SR301 0.0 107.9 1.0
C39 B:7SR301 1.9 101.7 1.0
C41 B:7SR301 2.8 99.4 1.0
C38 B:7SR301 2.8 98.7 1.0
CB B:PHE105 3.6 79.0 1.0
CD1 C:ILE75 3.9 69.7 1.0
O C:ILE75 4.0 79.4 1.0
N C:LEU79 4.0 90.7 1.0
C42 B:7SR301 4.1 98.1 1.0
CD1 B:PHE105 4.1 73.4 1.0
C37 B:7SR301 4.1 96.7 1.0
O B:ALA101 4.1 77.8 1.0
CA B:PHE105 4.1 82.9 1.0
CG B:PHE105 4.2 74.8 1.0
CB C:ARG78 4.2 76.2 1.0
C C:ARG78 4.3 86.7 1.0
CA C:LEU79 4.3 88.7 1.0
CG1 C:ILE75 4.4 73.9 1.0
N B:PHE105 4.5 83.4 1.0
C36 B:7SR301 4.5 96.1 1.0
CB C:LEU79 4.5 85.0 1.0
O C:ARG78 4.6 92.2 1.0
CA C:ARG78 4.9 84.8 1.0
C C:ILE75 5.0 80.9 1.0

Bromine binding site 4 out of 14 in 7vp9

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Bromine binding site 4 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


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 in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br301

b:100.8
occ:1.00
 BR1 D:7SR301 0.0 100.8 1.0
C39 D:7SR301 1.9 102.9 1.0
C41 D:7SR301 2.8 104.1 1.0
C38 D:7SR301 2.9 104.2 1.0
CG1 E:ILE75 3.5 92.4 1.0
O E:ILE75 3.6 87.7 1.0
CG E:ARG78 3.6 99.2 1.0
CB D:PHE105 3.6 94.0 1.0
CB E:ARG78 3.9 95.9 1.0
N E:LEU79 4.0 93.3 1.0
O D:ALA101 4.0 89.8 1.0
C42 D:7SR301 4.1 106.1 1.0
CD1 E:ILE75 4.2 94.2 1.0
C37 D:7SR301 4.3 106.0 1.0
C E:ARG78 4.3 95.2 1.0
CG D:PHE105 4.3 99.5 1.0
CA E:LEU79 4.3 89.1 1.0
CA D:PHE105 4.4 91.4 1.0
CD1 D:PHE105 4.5 102.1 1.0
C E:ILE75 4.5 89.2 1.0
CB E:LEU79 4.6 90.1 1.0
C36 D:7SR301 4.7 106.1 1.0
CA E:ILE75 4.7 90.4 1.0
CA E:ARG78 4.7 95.4 1.0
CB E:ILE75 4.7 88.6 1.0
N D:PHE105 4.7 87.8 1.0
O E:ARG78 4.8 97.5 1.0
C D:ALA101 4.9 87.3 1.0

Bromine binding site 5 out of 14 in 7vp9

Go back to Bromine Binding Sites List in 7vp9
Bromine binding site 5 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


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 in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br302

b:137.4
occ:1.00
 BR1 D:7SR302 0.0 137.4 1.0
C39 D:7SR302 1.9 133.1 1.0
C41 D:7SR302 2.8 130.5 1.0
C38 D:7SR302 2.9 128.9 1.0
CG1 D:ILE75 3.5 84.6 1.0
CB C:PHE105 3.5 99.6 1.0
CG D:ARG78 3.8 103.3 1.0
CD1 D:ILE75 3.8 80.9 1.0
O D:ILE75 3.9 96.0 1.0
CD1 C:PHE105 4.0 103.2 1.0
CG C:PHE105 4.1 102.0 1.0
N D:LEU79 4.1 99.6 1.0
O C:ALA101 4.1 86.0 1.0
C42 D:7SR302 4.1 127.1 1.0
CB D:ARG78 4.1 100.4 1.0
CA C:PHE105 4.1 100.6 1.0
C37 D:7SR302 4.2 125.0 1.0
CA D:LEU79 4.3 98.0 1.0
C D:ARG78 4.4 101.2 1.0
N C:PHE105 4.5 98.1 1.0
C36 D:7SR302 4.6 121.6 1.0
CB D:LEU79 4.7 96.2 1.0
O D:ARG78 4.8 100.4 1.0
CB D:ILE75 4.8 91.2 1.0
C D:ILE75 4.8 96.6 1.0
CA D:ILE75 4.9 97.8 1.0
CA D:ARG78 4.9 100.2 1.0
NH1 D:ARG78 5.0 122.3 1.0

Bromine binding site 6 out of 14 in 7vp9

Go back to Bromine Binding Sites List in 7vp9
Bromine binding site 6 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


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 in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br301

b:120.5
occ:1.00
 BR1 E:7SR301 0.0 120.5 1.0
C39 E:7SR301 2.0 115.8 1.0
C38 E:7SR301 2.9 115.6 1.0
C41 E:7SR301 2.9 113.6 1.0
CD1 F:ILE75 3.3 76.6 1.0
CB E:PHE105 3.6 83.9 1.0
N F:LEU79 3.8 88.6 1.0
O F:ILE75 3.9 72.5 1.0
CA F:LEU79 3.9 88.2 1.0
CD1 E:PHE105 3.9 88.3 1.0
CB F:LEU79 3.9 87.1 1.0
CG E:PHE105 4.0 88.3 1.0
CG F:ARG78 4.0 84.7 1.0
C37 E:7SR301 4.2 114.1 1.0
CD1 F:LEU79 4.2 89.4 1.0
C42 E:7SR301 4.2 111.5 1.0
O E:ALA101 4.2 80.6 1.0
C F:ARG78 4.2 86.0 1.0
CA E:PHE105 4.3 82.8 1.0
CB F:ARG78 4.3 83.9 1.0
CG1 F:ILE75 4.3 78.4 1.0
CG F:LEU79 4.6 88.9 1.0
NH1 F:ARG78 4.6 103.8 1.0
O F:ARG78 4.7 90.1 1.0
C36 E:7SR301 4.7 110.7 1.0
N E:PHE105 4.7 82.0 1.0
C F:ILE75 4.9 78.2 1.0
CA F:ARG78 4.9 83.7 1.0
CE1 E:PHE105 5.0 89.8 1.0

Bromine binding site 7 out of 14 in 7vp9

Go back to Bromine Binding Sites List in 7vp9
Bromine binding site 7 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


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 in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br301

b:116.5
occ:1.00
 BR1 G:7SR301 0.0 116.5 1.0
C39 G:7SR301 2.0 106.4 1.0
C38 G:7SR301 2.9 102.9 1.0
C41 G:7SR301 2.9 101.5 1.0
O G:ILE75 3.6 74.3 1.0
CG1 G:ILE75 3.6 77.0 1.0
CB F:PHE105 3.7 84.3 1.0
CG G:LEU79 3.7 76.4 1.0
CG G:ARG78 3.8 81.4 1.0
N G:LEU79 3.9 75.9 1.0
O F:ALA101 4.0 66.2 1.0
CB G:ARG78 4.2 82.5 1.0
CA G:LEU79 4.2 74.3 1.0
C37 G:7SR301 4.2 99.2 1.0
C42 G:7SR301 4.2 98.2 1.0
CD2 G:LEU79 4.3 78.6 1.0
C G:ARG78 4.3 78.7 1.0
CD1 G:ILE75 4.3 78.1 1.0
CB G:LEU79 4.4 74.8 1.0
CG F:PHE105 4.4 90.7 1.0
CA F:PHE105 4.5 80.3 1.0
C G:ILE75 4.6 74.5 1.0
CD1 G:LEU79 4.7 76.0 1.0
CD1 F:PHE105 4.7 90.5 1.0
C36 G:7SR301 4.7 95.8 1.0
O G:ARG78 4.7 77.3 1.0
N F:PHE105 4.8 77.0 1.0
CA G:ILE75 4.8 76.5 1.0
C F:ALA101 4.8 65.7 1.0
CA G:ARG78 4.9 80.9 1.0
CB G:ILE75 4.9 76.5 1.0

Bromine binding site 8 out of 14 in 7vp9

Go back to Bromine Binding Sites List in 7vp9
Bromine binding site 8 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of Human Clpp in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br301

b:64.6
occ:1.00
 BR1 H:7SR301 0.0 64.6 1.0
C39 H:7SR301 2.0 64.4 1.0
C41 H:7SR301 2.9 64.1 1.0
C38 H:7SR301 2.9 59.9 1.0
CG H:ARG78 3.6 39.8 1.0
O H:ILE75 3.6 40.6 1.0
CG1 H:ILE75 3.7 36.7 1.0
CG H:LEU79 3.8 51.4 1.0
N H:LEU79 3.8 45.6 1.0
CB N:PHE105 3.9 49.4 1.0
CB H:ARG78 3.9 41.7 1.0
CA H:LEU79 4.1 45.8 1.0
C H:ARG78 4.1 45.9 1.0
C42 H:7SR301 4.2 58.4 1.0
C37 H:7SR301 4.2 55.8 1.0
CD1 N:PHE105 4.3 46.8 1.0
CD1 H:ILE75 4.4 39.5 1.0
CB H:LEU79 4.4 47.8 1.0
O N:ALA101 4.4 50.9 1.0
CG N:PHE105 4.4 46.1 1.0
CD2 H:LEU79 4.4 50.7 1.0
CA N:PHE105 4.5 48.3 1.0
C H:ILE75 4.6 40.3 1.0
O H:ARG78 4.6 46.9 1.0
CD1 H:LEU79 4.6 54.2 1.0
CA H:ARG78 4.7 44.0 1.0
C36 H:7SR301 4.7 52.9 1.0
CA H:ILE75 4.8 42.4 1.0
CB H:ILE75 4.9 38.6 1.0
N N:PHE105 4.9 49.0 1.0
CD H:ARG78 5.0 45.1 1.0

Bromine binding site 9 out of 14 in 7vp9

Go back to Bromine Binding Sites List in 7vp9
Bromine binding site 9 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of Human Clpp in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Br301

b:59.0
occ:1.00
 BR1 I:7SR301 0.0 59.0 1.0
C39 I:7SR301 1.9 42.4 1.0
C41 I:7SR301 2.9 38.2 1.0
C38 I:7SR301 2.9 35.1 1.0
CG J:ARG78 3.5 38.3 1.0
CG1 J:ILE75 3.6 34.4 1.0
O J:ILE75 3.7 37.7 1.0
CB I:PHE105 3.8 32.1 1.0
N J:LEU79 3.9 39.3 1.0
CB J:ARG78 3.9 41.5 1.0
CG J:LEU79 4.0 45.9 1.0
C37 I:7SR301 4.2 33.0 1.0
C J:ARG78 4.2 41.5 1.0
C42 I:7SR301 4.2 37.5 1.0
CD1 I:PHE105 4.2 31.7 1.0
CA J:LEU79 4.2 41.2 1.0
CD1 J:ILE75 4.3 34.4 1.0
CG I:PHE105 4.3 33.4 1.0
CA I:PHE105 4.4 32.6 1.0
O I:ALA101 4.4 30.7 1.0
CB J:LEU79 4.5 41.0 1.0
CD2 J:LEU79 4.6 45.8 1.0
O J:ARG78 4.6 42.5 1.0
C J:ILE75 4.6 38.9 1.0
C36 I:7SR301 4.6 36.8 1.0
CA J:ARG78 4.7 43.3 1.0
CA J:ILE75 4.8 41.9 1.0
N I:PHE105 4.8 36.4 1.0
CB J:ILE75 4.8 35.9 1.0
CD J:ARG78 4.9 38.8 1.0

Bromine binding site 10 out of 14 in 7vp9

Go back to Bromine Binding Sites List in 7vp9
Bromine binding site 10 out of 14 in the Crystal Structure of Human Clpp in Complex with ZG111


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of Human Clpp in Complex with ZG111 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Br302

b:53.8
occ:1.00
 BR1 I:7SR302 0.0 53.8 1.0
C39 I:7SR302 1.9 46.0 1.0
C41 I:7SR302 2.8 40.7 1.0
C38 I:7SR302 2.8 41.9 1.0
CG I:ARG78 3.6 36.1 1.0
CG1 I:ILE75 3.6 41.2 1.0
O I:ILE75 3.7 32.7 1.0
CB H:PHE105 3.7 37.8 1.0
N I:LEU79 3.9 35.1 1.0
CD1 I:LEU79 3.9 40.0 1.0
CB I:ARG78 4.0 36.6 1.0
C37 I:7SR302 4.1 38.7 1.0
C42 I:7SR302 4.1 40.4 1.0
O H:ALA101 4.2 34.9 1.0
CA I:LEU79 4.2 37.0 1.0
C I:ARG78 4.2 37.5 1.0
CD1 H:PHE105 4.2 42.0 1.0
CD1 I:ILE75 4.3 45.2 1.0
CG H:PHE105 4.3 39.3 1.0
CA H:PHE105 4.4 41.0 1.0
CB I:LEU79 4.4 36.6 1.0
C36 I:7SR302 4.6 37.3 1.0
O I:ARG78 4.6 37.8 1.0
C I:ILE75 4.6 40.8 1.0
CA I:ARG78 4.7 41.7 1.0
CG I:LEU79 4.7 40.2 1.0
N H:PHE105 4.7 40.0 1.0
CA I:ILE75 4.8 38.2 1.0
CB I:ILE75 4.9 40.1 1.0
C H:ALA101 5.0 37.4 1.0

Reference:

P.Wang, T.Zhang, X.Wang, H.Xiao, H.Li, L.L.Zhou, T.Yang, B.Wei, Z.Zhu, L.Zhou, S.Yang, X.Lu, Y.Zhang, Y.Huang, J.Gan, C.G.Yang. Aberrant Human Clpp Activation Disturbs Mitochondrial Proteome Homeostasis to Suppress Pancreatic Ductal Adenocarcinoma. Cell Chem Biol V. 29 1396 2022.
ISSN: ESSN 2451-9456
PubMed: 35905743
DOI: 10.1016/J.CHEMBIOL.2022.07.002
Page generated: Thu Jul 11 04:39:47 2024

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