Atomistry » Chlorine » PDB 6af5-6aq4 » 6alz
Atomistry »
  Chlorine »
    PDB 6af5-6aq4 »
      6alz »

Chlorine in PDB 6alz: Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin

Enzymatic activity of Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin

All present enzymatic activity of Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin:
3.1.3.16;

Protein crystallography data

The structure of Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin, PDB code: 6alz was solved by M.S.Choy, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.82 / 2.21
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.199, 78.855, 133.779, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 21.6

Other elements in 6alz:

The structure of Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin also contains other interesting chemical elements:

Manganese (Mn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin (pdb code 6alz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin, PDB code: 6alz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6alz

Go back to Chlorine Binding Sites List in 6alz
Chlorine binding site 1 out of 4 in the Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:53.5
occ:1.00
 N A:GLY215 2.9 52.5 1.0
N A:GLU230 3.3 40.9 1.0
CA A:GLY228 3.4 42.7 1.0
CB A:GLU230 3.4 44.9 1.0
C A:GLY228 3.5 44.4 1.0
N A:VAL231 3.6 40.5 1.0
CG2 A:VAL231 3.6 45.9 1.0
CA A:GLY215 3.8 48.1 1.0
N A:ALA229 3.8 41.1 1.0
CA A:GLU230 3.8 42.1 1.0
CA A:GLN214 3.8 57.5 1.0
C A:GLN214 3.8 57.0 1.0
N A:GLY228 3.9 42.4 1.0
O A:VAL213 3.9 57.4 1.0
O A:GLY228 4.0 42.6 1.0
C A:GLU230 4.1 44.2 1.0
C A:ALA229 4.4 42.1 1.0
O A:GLY215 4.4 46.8 1.0
CB A:VAL231 4.6 43.5 1.0
C A:GLY215 4.6 53.1 1.0
CA A:VAL231 4.6 38.6 1.0
CG A:GLU230 4.7 50.4 1.0
CA A:ALA229 4.7 41.0 1.0
CB A:GLN214 4.7 58.4 1.0
C A:VAL213 4.7 55.4 1.0
N A:GLN214 4.7 58.8 1.0
CG A:GLN214 4.8 68.8 1.0
O A:HOH554 4.9 51.3 1.0

Chlorine binding site 2 out of 4 in 6alz

Go back to Chlorine Binding Sites List in 6alz
Chlorine binding site 2 out of 4 in the Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:50.0
occ:1.00
 O A:HOH664 2.9 40.6 1.0
N B:PHE257 3.0 37.0 1.0
NZ A:LYS297 3.1 35.5 1.0
CE A:LYS297 3.4 42.5 1.0
CD A:LYS297 3.6 42.8 1.0
CA B:GLU256 3.8 39.3 1.0
CB B:PHE257 3.8 40.0 1.0
C B:GLU256 3.9 40.7 1.0
CA B:PHE257 3.9 38.1 1.0
CD2 B:PHE257 4.1 40.0 1.0
CG B:GLU256 4.2 42.1 1.0
O B:PHE257 4.2 44.3 1.0
CG B:PHE257 4.4 37.9 1.0
C B:PHE257 4.5 40.2 1.0
CB B:GLU256 4.6 40.6 1.0
O B:TYR255 4.7 39.3 1.0
CG A:LYS297 4.7 41.5 1.0
O A:HOH596 4.8 51.6 1.0
CE2 B:TYR255 4.8 36.9 1.0
N B:GLU256 4.8 39.2 1.0

Chlorine binding site 3 out of 4 in 6alz

Go back to Chlorine Binding Sites List in 6alz
Chlorine binding site 3 out of 4 in the Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:48.9
occ:1.00
 O B:HOH512 3.1 37.1 1.0
O B:HOH572 3.2 47.6 1.0
N A:ILE295 3.2 31.4 1.0
CA A:GLN294 3.6 33.9 1.0
O A:ILE295 3.8 34.5 1.0
CE2 B:PHE293 3.8 33.5 1.0
NH1 B:ARG261 3.9 52.4 1.0
CB A:GLN294 3.9 29.1 1.0
C A:GLN294 3.9 34.6 1.0
CD2 A:TYR78 4.0 50.6 1.0
CD2 B:PHE293 4.0 32.8 1.0
CE2 A:TYR78 4.1 50.5 1.0
CE2 B:PHE257 4.2 40.1 1.0
CA A:ILE295 4.3 33.6 1.0
C A:ILE295 4.5 32.3 1.0
CG A:GLN294 4.5 34.8 1.0
OH B:TYR255 4.5 40.4 1.0
CE2 B:TYR255 4.6 36.9 1.0
CB A:ILE295 4.7 32.2 1.0
O A:PHE293 4.7 27.4 1.0
CZ B:PHE257 4.8 37.5 1.0
CZ B:TYR255 4.9 34.9 1.0
N A:GLN294 4.9 28.2 1.0
O B:CYS291 4.9 32.9 1.0
O A:HOH596 4.9 51.6 1.0

Chlorine binding site 4 out of 4 in 6alz

Go back to Chlorine Binding Sites List in 6alz
Chlorine binding site 4 out of 4 in the Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Protein Phosphatase 1 Bound to the Natural Inhibitor Tautomycetin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:64.4
occ:1.00
 N B:GLU230 3.1 61.5 1.0
N B:GLY215 3.2 63.0 1.0
CA B:GLY228 3.4 57.2 1.0
C B:GLY228 3.4 55.5 1.0
CB B:GLU230 3.4 63.2 1.0
CG2 B:VAL231 3.5 51.0 1.0
N B:ALA229 3.5 53.3 1.0
N B:VAL231 3.5 57.7 1.0
CA B:GLU230 3.7 62.3 1.0
O B:GLY228 3.9 54.9 1.0
N B:GLY228 4.0 57.1 1.0
CG B:GLU230 4.0 68.5 1.0
CA B:GLY215 4.0 59.6 1.0
CA B:GLN214 4.0 63.2 1.0
C B:GLU230 4.0 58.7 1.0
C B:GLN214 4.1 64.4 1.0
C B:ALA229 4.1 58.8 1.0
O B:VAL213 4.3 66.6 1.0
CA B:ALA229 4.4 53.2 1.0
O B:GLY215 4.5 59.9 1.0
CB B:VAL231 4.6 57.0 1.0
CA B:VAL231 4.6 55.5 1.0
C B:GLY215 4.7 63.9 1.0
CB B:GLN214 4.9 64.0 1.0

Reference:

M.S.Choy, M.Swingle, B.D'arcy, K.Abney, S.F.Rusin, A.N.Kettenbach, R.Page, R.E.Honkanen, W.Peti. PP1:Tautomycetin Complex Reveals A Path Toward the Development of PP1-Specific Inhibitors. J. Am. Chem. Soc. V. 139 17703 2017.
ISSN: ESSN 1520-5126
PubMed: 29156132
DOI: 10.1021/JACS.7B09368
Page generated: Fri Jul 26 22:06:53 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy