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Sodium in PDB 5op7: Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor
Enzymatic activity of Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor
All present enzymatic activity of Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor, PDB code: 5op7
was solved by
P.Dokurno,
D.S.Williamson,
P.Acheson-Dossang,
I.Chen,
J.B.Murray,
T.Shaw,
A.E.Surgenor,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 20.00 / 1.80 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 45.070, 65.620, 54.370, 90.00, 101.99, 90.00 |
| R / Rfree (%) | 16.6 / 21.5 |
Other elements in 5op7:
The structure of Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Sodium Binding Sites:
The binding sites of Sodium atom in the Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor
(pdb code 5op7). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor, PDB code: 5op7:
In total only one binding site of Sodium was determined in the Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor, PDB code: 5op7:
Sodium binding site 1 out of 1 in 5op7
Go back to
Sodium Binding Sites List in 5op7
Sodium binding site 1 out
of 1 in the Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Structure of CHK1 10-Pt. Mutant Complex with Pyrrolopyrimidine LRRK2 Inhibitor within 5.0Å range:
|
Reference:
D.S.Williamson,
G.P.Smith,
P.Acheson-Dossang,
S.T.Bedford,
V.Chell,
I.J.Chen,
J.C.A.Daechsel,
Z.Daniels,
L.David,
P.Dokurno,
M.Hentzer,
M.C.Herzig,
R.E.Hubbard,
J.D.Moore,
J.B.Murray,
S.Newland,
S.C.Ray,
T.Shaw,
A.E.Surgenor,
L.Terry,
K.Thirstrup,
Y.Wang,
K.V.Christensen.
Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using A Crystallographic Surrogate Derived From Checkpoint Kinase 1 (CHK1). J. Med. Chem. V. 60 8945 2017.
ISSN: ISSN 1520-4804
PubMed: 29023112
DOI: 10.1021/ACS.JMEDCHEM.7B01186
Page generated: Mon Oct 7 23:14:21 2024
ISSN: ISSN 1520-4804
PubMed: 29023112
DOI: 10.1021/ACS.JMEDCHEM.7B01186
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