Atomistry » Chlorine » PDB 8cl5-8cur » 8cno
Atomistry »
  Chlorine »
    PDB 8cl5-8cur »
      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: Sun Jul 13 10:15:43 2025

Last articles

Mo in 4ND8
Mo in 4HI1
Mo in 4C80
Mo in 4DMR
Mo in 4BVP
Mo in 3ZX0
Mo in 4BRF
Mo in 4C7Z
Mo in 4C7Y
Mo in 3ZYV
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy