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Chlorine in PDB 3ncz: X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor
Enzymatic activity of X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor
All present enzymatic activity of X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor, PDB code: 3ncz
was solved by
X.Li,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 44.12 / 3.00 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 161.439, 80.863, 166.619, 90.00, 117.22, 90.00 |
| R / Rfree (%) | 25.5 / 32.8 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor
(pdb code 3ncz). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor, PDB code: 3ncz:
Jump to Chlorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Chlorine where determined in the X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor, PDB code: 3ncz:
Jump to Chlorine binding site number: 1; 2; 3; 4;
Chlorine binding site 1 out of 4 in 3ncz
Go back to
Chlorine Binding Sites List in 3ncz
Chlorine binding site 1 out
of 4 in the X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor within 5.0Å range:
|
Chlorine binding site 2 out of 4 in 3ncz
Go back to
Chlorine Binding Sites List in 3ncz
Chlorine binding site 2 out
of 4 in the X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor within 5.0Å range:
|
Chlorine binding site 3 out of 4 in 3ncz
Go back to
Chlorine Binding Sites List in 3ncz
Chlorine binding site 3 out
of 4 in the X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor within 5.0Å range:
|
Chlorine binding site 4 out of 4 in 3ncz
Go back to
Chlorine Binding Sites List in 3ncz
Chlorine binding site 4 out
of 4 in the X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of X-Ray Co-Structure of Rho-Associated Protein Kinase (ROCK1) with A Potent 2H-Isoquinolin-1-One Inhibitor within 5.0Å range:
|
Reference:
J.D.Ginn,
T.Bosanac,
R.Chen,
C.Cywin,
E.Hickey,
M.Kashem,
S.Kerr,
S.Kugler,
X.Li,
A.Prokopowicz,
S.Schlyer,
J.D.Smith,
M.R.Turner,
F.Wu,
E.R.Young.
Substituted 2H-Isoquinolin-1-Ones As Potent Rho-Kinase Inhibitors: Part 2, Optimization For Blood Pressure Reduction in Spontaneously Hypertensive Rats. Bioorg.Med.Chem.Lett. V. 20 5153 2010.
ISSN: ISSN 0960-894X
PubMed: 20678931
DOI: 10.1016/J.BMCL.2010.07.014
Page generated: Sun Jul 21 00:58:03 2024
ISSN: ISSN 0960-894X
PubMed: 20678931
DOI: 10.1016/J.BMCL.2010.07.014
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