Atomistry » Chlorine » PDB 8chj-8coj » 8cno
Atomistry »
  Chlorine »
    PDB 8chj-8coj »
      8cno »

Chlorine in PDB 8cno: Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol

Enzymatic activity of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol

All present enzymatic activity of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol:
2.3.1.286;

Protein crystallography data

The structure of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol, PDB code: 8cno was solved by W.You, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.64 / 1.75
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 91.276, 91.276, 143.23, 90, 90, 120
R / Rfree (%) 16.7 / 18.8

Other elements in 8cno:

The structure of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol (pdb code 8cno). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol, PDB code: 8cno:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8cno

Go back to Chlorine Binding Sites List in 8cno
Chlorine binding site 1 out of 6 in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl412

b:56.8
occ:1.00
 CD1 A:LEU289 3.5 37.3 1.0
CD1 A:LEU286 3.7 32.0 1.0
CG A:LEU289 3.7 33.6 1.0
CD A:ARG103 3.8 36.9 1.0
CB A:LEU286 3.9 29.7 1.0
CG A:ARG103 3.9 31.8 1.0
CD2 A:LEU289 4.0 36.2 1.0
NE A:ARG103 4.1 40.9 1.0
O A:PRO287 4.3 26.4 1.0
CG A:LEU286 4.4 31.6 1.0
CB A:ARG103 4.5 31.6 1.0
CZ A:ARG103 5.0 45.6 1.0

Chlorine binding site 2 out of 6 in 8cno

Go back to Chlorine Binding Sites List in 8cno
Chlorine binding site 2 out of 6 in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:55.8
occ:1.00
 N A:PHE86 2.9 27.6 1.0
OE1 A:GLU87 3.3 33.5 1.0
CD2 A:PHE86 3.3 30.4 1.0
CB A:THR85 3.5 25.6 1.0
CA A:THR85 3.6 25.4 1.0
C A:THR85 3.8 25.0 1.0
CB A:PHE86 3.8 24.1 1.0
CA A:PHE86 3.9 22.7 1.0
C2 B:PEG401 3.9 54.6 1.0
CG A:PHE86 4.0 28.1 1.0
C3 B:PEG401 4.0 53.4 1.0
C1 B:PEG401 4.2 56.3 1.0
CG2 A:THR85 4.3 29.3 1.0
CE2 A:PHE86 4.3 33.0 1.0
O2 B:PEG401 4.4 53.0 1.0
CD A:GLU87 4.4 31.3 1.0
N A:GLU87 4.5 22.5 1.0
OG1 A:THR85 4.6 27.4 1.0
CG1 A:VAL153 4.8 33.6 1.0
C A:PHE86 4.8 22.3 1.0
OE2 A:GLU87 4.8 33.0 1.0
O A:THR85 5.0 25.1 1.0

Chlorine binding site 3 out of 6 in 8cno

Go back to Chlorine Binding Sites List in 8cno
Chlorine binding site 3 out of 6 in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:48.6
occ:1.00
 N A:ALA79 3.1 34.9 1.0
NE2 B:HIS68 3.2 23.1 1.0
O A:ALA79 3.5 37.5 1.0
CB A:LEU78 3.8 40.8 1.0
CB A:ALA79 3.8 29.8 1.0
CA A:ALA79 3.9 34.4 1.0
CD2 B:HIS68 3.9 22.3 1.0
CD2 A:LEU78 4.0 45.9 1.0
C A:LEU78 4.1 40.3 1.0
CA A:LEU78 4.1 39.6 1.0
C A:ALA79 4.1 33.1 1.0
CE1 B:HIS68 4.3 23.9 1.0
CG A:LEU78 4.5 45.8 1.0
CE A:MET73 4.7 36.8 1.0

Chlorine binding site 4 out of 6 in 8cno

Go back to Chlorine Binding Sites List in 8cno
Chlorine binding site 4 out of 6 in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl415

b:54.4
occ:1.00
 NE2 A:HIS68 3.3 28.7 1.0
N B:ALA79 3.7 45.9 1.0
CD2 A:HIS68 3.7 27.1 1.0
O B:ALA79 3.8 43.7 1.0
CB B:ALA79 4.0 37.8 1.0
CA B:ALA79 4.2 40.0 1.0
C B:ALA79 4.4 41.2 1.0
CE1 A:HIS68 4.5 26.1 1.0
CB A:PRO67 4.7 27.0 1.0
O A:PRO67 4.8 29.2 1.0
C B:LEU78 4.8 47.1 1.0
CD2 B:LEU78 4.8 64.0 1.0
CB B:LEU78 4.9 58.6 1.0
CA B:LEU78 5.0 53.0 1.0

Chlorine binding site 5 out of 6 in 8cno

Go back to Chlorine Binding Sites List in 8cno
Chlorine binding site 5 out of 6 in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl410

b:56.5
occ:1.00
 O A:HOH504 2.9 29.9 1.0
N B:PHE82 3.3 24.4 1.0
O B:PRO80 3.7 35.6 1.0
CA B:LYS81 3.8 27.4 1.0
CD B:LYS81 3.8 29.9 1.0
C B:LYS81 4.1 26.6 1.0
O B:PHE82 4.2 28.0 1.0
CB B:PHE82 4.2 32.4 1.0
CA B:PHE82 4.2 27.6 1.0
OE1 A:GLU22 4.3 37.4 1.0
OH A:TYR257 4.5 33.3 1.0
CD1 B:PHE82 4.6 37.0 1.0
C B:PRO80 4.6 34.4 1.0
NZ B:LYS81 4.6 22.9 1.0
CB B:LYS81 4.7 27.2 1.0
N B:LYS81 4.7 27.2 1.0
C B:PHE82 4.7 28.6 1.0
CG B:LYS81 4.8 29.0 1.0
CE B:LYS81 4.8 25.1 1.0
CG B:PHE82 4.9 35.2 1.0

Chlorine binding site 6 out of 6 in 8cno

Go back to Chlorine Binding Sites List in 8cno
Chlorine binding site 6 out of 6 in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:51.2
occ:1.00
 O1 A:EDO405 2.7 46.7 1.0
N B:PHE86 2.8 26.0 1.0
OE1 B:GLU87 3.1 31.7 1.0
CD2 B:PHE86 3.3 35.7 1.0
CB B:THR85 3.4 30.0 1.0
CA B:THR85 3.6 31.7 1.0
CB B:PHE86 3.6 31.9 1.0
C B:THR85 3.6 28.1 1.0
CA B:PHE86 3.7 28.2 1.0
CG B:PHE86 3.9 31.5 1.0
C1 A:EDO405 4.1 39.2 1.0
CG2 B:THR85 4.1 34.9 1.0
CD B:GLU87 4.2 31.0 1.0
N B:GLU87 4.3 24.4 1.0
CE2 B:PHE86 4.4 36.2 1.0
OG1 B:THR85 4.5 28.5 1.0
CG1 B:VAL153 4.6 40.8 1.0
C B:PHE86 4.6 25.5 1.0
OE2 B:GLU87 4.7 30.7 1.0
O B:THR85 4.9 26.3 1.0
C2 A:EDO405 4.9 44.3 1.0

Reference:

W.You, C.Steegborn. Development of Novel Sirtuin 6 Inhibitors and Activators Based on A Protein Crystallography-Based Fragment Screen To Be Published.
Page generated: Tue Jul 30 08:04:18 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy