Atomistry » Bromine » PDB 8rhr-8wyp » 8wuz
Atomistry »
  Bromine »
    PDB 8rhr-8wyp »
      8wuz »

Bromine in PDB 8wuz: Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators

Enzymatic activity of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators

All present enzymatic activity of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators:
3.4.21.92;

Protein crystallography data

The structure of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators, PDB code: 8wuz was solved by J.-X.Jiang, H.Ding, M.-R.Chen, M.-L.Lu, H.-Y.Sun, Y.-B.Xiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.75 / 2.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 148.277, 184.938, 163.222, 90, 90, 90
R / Rfree (%) 23.3 / 27.6

Other elements in 8wuz:

The structure of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators also contains other interesting chemical elements:

Fluorine (F) 28 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators (pdb code 8wuz). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators, PDB code: 8wuz:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 8wuz

Go back to Bromine Binding Sites List in 8wuz
Bromine binding site 1 out of 8 in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br302

b:63.3
occ:1.00
 OG A:SER153 3.1 30.7 1.0
NE2 A:HIS178 3.4 42.5 1.0
CE1 A:HIS178 3.9 42.6 1.0
CA A:PRO180 4.0 19.1 1.0
CD2 A:HIS178 4.1 42.4 1.0
CG2 A:VAL126 4.2 18.2 1.0
CB A:SER153 4.2 30.4 1.0
O A:HIS178 4.3 42.7 1.0
O A:GLN179 4.4 27.8 1.0
CB A:PRO180 4.4 19.3 1.0
N A:PRO180 4.5 19.8 1.0
CA A:SER153 4.6 30.4 1.0
CE A:MET154 4.6 36.8 1.0
C A:GLN179 4.6 28.0 1.0
ND1 A:HIS178 4.7 42.8 1.0
N A:MET154 4.7 36.4 1.0
CG A:MET154 4.8 36.8 1.0
CG A:HIS178 4.8 42.2 1.0
C A:SER153 4.9 30.6 1.0

Bromine binding site 2 out of 8 in 8wuz

Go back to Bromine Binding Sites List in 8wuz
Bromine binding site 2 out of 8 in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br302

b:62.4
occ:1.00
 OG B:SER153 3.0 35.8 1.0
NE2 B:HIS178 3.5 35.9 1.0
CE B:MET154 3.8 44.3 1.0
CD2 B:HIS178 3.9 35.8 1.0
CB B:SER153 3.9 36.1 1.0
CA B:PRO180 4.1 20.6 1.0
CG2 B:VAL126 4.2 31.1 1.0
O B:HIS178 4.3 35.5 1.0
CA B:SER153 4.4 36.0 1.0
N B:MET154 4.5 45.6 1.0
CB B:PRO180 4.6 20.7 1.0
N B:PRO180 4.6 21.4 1.0
CE1 B:HIS178 4.6 36.6 1.0
C B:SER153 4.7 35.6 1.0
CD1 B:LEU205 4.7 27.6 1.0
O B:GLN179 4.7 31.9 1.0
C B:GLN179 4.8 31.6 1.0

Bromine binding site 3 out of 8 in 8wuz

Go back to Bromine Binding Sites List in 8wuz
Bromine binding site 3 out of 8 in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br303

b:128.3
occ:1.00
 O B:MET136 3.1 32.8 1.0
O B:ILE139 3.3 31.2 1.0
O B:GLN137 3.6 48.7 1.0
O B:ASN141 3.7 28.0 1.0
CA B:GLN137 4.1 48.0 1.0
CD1 B:ILE143 4.2 32.0 1.0
C B:MET136 4.2 32.6 1.0
C B:GLN137 4.2 47.9 1.0
C B:ILE139 4.4 31.1 1.0
OG1 B:THR163 4.6 42.6 1.0
N B:GLN137 4.7 47.8 1.0
CG1 B:ILE139 4.8 31.2 1.0
C B:ASN141 4.9 28.3 1.0
OE1 B:GLN137 5.0 48.5 1.0

Bromine binding site 4 out of 8 in 8wuz

Go back to Bromine Binding Sites List in 8wuz
Bromine binding site 4 out of 8 in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br302

b:66.9
occ:1.00
 OG C:SER153 3.0 22.9 1.0
NE2 C:HIS178 3.5 37.0 1.0
CD2 C:HIS178 3.8 36.9 1.0
CB C:SER153 3.9 22.9 1.0
CA C:PRO180 4.1 25.5 1.0
CG2 C:VAL126 4.2 31.5 1.0
O C:HIS178 4.3 37.1 1.0
N C:MET154 4.4 42.5 1.0
CA C:SER153 4.5 23.6 1.0
CG C:MET154 4.5 42.0 1.0
CB C:PRO180 4.6 25.9 1.0
N C:PRO180 4.6 26.3 1.0
CE1 C:HIS178 4.6 37.5 1.0
CE C:MET154 4.6 42.1 1.0
O C:GLN179 4.6 38.4 1.0
C C:SER153 4.8 23.9 1.0
C C:GLN179 4.8 38.2 1.0
CD1 C:LEU205 5.0 40.0 1.0

Bromine binding site 5 out of 8 in 8wuz

Go back to Bromine Binding Sites List in 8wuz
Bromine binding site 5 out of 8 in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br302

b:62.3
occ:1.00
 OG D:SER153 3.3 36.5 1.0
NE2 D:HIS178 3.7 31.3 1.0
CE D:MET154 3.7 32.7 1.0
CG2 D:VAL126 3.9 30.2 1.0
CD2 D:HIS178 4.0 31.5 1.0
CA D:PRO180 4.3 30.1 1.0
CB D:SER153 4.3 36.0 1.0
O D:HIS178 4.5 32.3 1.0
CG D:MET154 4.5 32.1 1.0
N D:MET154 4.6 31.6 1.0
CD1 D:LEU205 4.6 28.7 1.0
CB D:PRO180 4.7 30.6 1.0
SD D:MET154 4.7 32.6 1.0
N D:PRO180 4.8 29.9 1.0
CA D:SER153 4.8 36.0 1.0
O D:GLN179 4.8 25.2 1.0
CE1 D:HIS178 4.9 31.0 1.0
C D:GLN179 5.0 25.7 1.0
C D:SER153 5.0 36.2 1.0

Bromine binding site 6 out of 8 in 8wuz

Go back to Bromine Binding Sites List in 8wuz
Bromine binding site 6 out of 8 in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br302

b:73.5
occ:1.00
 OG E:SER153 3.0 36.7 1.0
NE2 E:HIS178 3.7 30.9 1.0
CB E:SER153 3.9 36.5 1.0
CG2 E:VAL126 4.1 27.1 1.0
CA E:PRO180 4.1 24.1 1.0
CD2 E:HIS178 4.2 31.4 1.0
O E:HIS178 4.3 32.3 1.0
CE1 E:HIS178 4.4 31.2 1.0
CA E:SER153 4.4 36.9 1.0
N E:MET154 4.5 45.4 1.0
CB E:PRO180 4.6 24.4 1.0
N E:PRO180 4.6 24.2 1.0
O E:GLN179 4.6 38.3 1.0
C E:SER153 4.8 37.0 1.0
C E:GLN179 4.8 38.7 1.0
SD E:MET154 4.8 47.0 1.0

Bromine binding site 7 out of 8 in 8wuz

Go back to Bromine Binding Sites List in 8wuz
Bromine binding site 7 out of 8 in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br302

b:81.2
occ:1.00
 OG F:SER153 3.2 43.6 1.0
CE F:MET154 3.6 43.3 1.0
NE2 F:HIS178 3.8 37.8 1.0
CG2 F:VAL126 3.9 33.0 1.0
CD2 F:HIS178 4.1 38.8 1.0
CB F:SER153 4.1 43.7 1.0
CA F:PRO180 4.3 29.5 1.0
CA F:SER153 4.6 44.2 1.0
O F:HIS178 4.6 41.4 1.0
CG F:MET154 4.6 41.6 1.0
N F:MET154 4.6 41.5 1.0
CB F:PRO180 4.7 29.8 1.0
CD1 F:LEU205 4.7 37.0 1.0
CE1 F:HIS178 4.8 37.8 1.0
N F:PRO180 4.8 30.6 1.0
SD F:MET154 4.9 42.8 1.0
O F:GLN179 4.9 38.0 1.0
C F:SER153 4.9 44.4 1.0

Bromine binding site 8 out of 8 in 8wuz

Go back to Bromine Binding Sites List in 8wuz
Bromine binding site 8 out of 8 in the Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin- 4(1H)-One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br302

b:75.2
occ:1.00
 OG G:SER153 2.9 42.0 1.0
NE2 G:HIS178 3.4 41.2 1.0
CD2 G:HIS178 3.7 41.9 1.0
CB G:SER153 4.1 42.1 1.0
CA G:PRO180 4.1 29.3 1.0
CG1 G:VAL126 4.3 47.4 1.0
O G:HIS178 4.4 44.0 1.0
O G:GLN179 4.5 36.7 1.0
CA G:SER153 4.5 42.9 1.0
N G:MET154 4.5 50.0 1.0
CE1 G:HIS178 4.5 41.2 1.0
CD1 G:LEU205 4.5 37.4 1.0
N G:PRO180 4.6 30.4 1.0
CB G:PRO180 4.6 29.4 1.0
CG G:MET154 4.7 49.7 1.0
CE G:MET154 4.7 51.5 1.0
C G:GLN179 4.8 37.1 1.0
C G:SER153 4.9 43.1 1.0
CG G:HIS178 5.0 42.3 1.0

Reference:

J.-X.Jiang, H.Ding, M.-R.Chen, M.-L.Lu, H.-Y.Sun, Y.-B.Xiao. Development of 2-Imino-2,3,5,6,7,8-Hexahydropyrido[4,3-D]Pyrimidin-4(1H) -One Derivatives As Human Caseinolytic Peptidase P (Hclpp) Activators To Be Published.
Page generated: Thu Oct 31 16:52:12 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy