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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;

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:

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

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:
probe atom residue distance (Å) B Occ
A:Na303

b:55.5
occ:1.00
O A:HOH596 1.8 51.5 1.0
O A:HOH597 2.0 55.7 1.0
O A:HOH587 3.9 60.6 1.0
CG A:PRO98 5.0 35.8 1.0
O A:HOH588 5.0 40.5 1.0

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: Tue Dec 15 11:25:31 2020

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