Atomistry » Chlorine » PDB 7np2-7nwc » 7nqw
Atomistry »
  Chlorine »
    PDB 7np2-7nwc »
      7nqw »

Chlorine in PDB 7nqw: Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2

Enzymatic activity of Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2

All present enzymatic activity of Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2:
2.7.11.24;

Protein crystallography data

The structure of Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2, PDB code: 7nqw was solved by M.O'reilly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.22 / 1.78
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.878, 70.666, 60.872, 90, 110.43, 90
R / Rfree (%) 16.5 / 20.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2 (pdb code 7nqw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2, PDB code: 7nqw:

Chlorine binding site 1 out of 1 in 7nqw

Go back to Chlorine Binding Sites List in 7nqw
Chlorine binding site 1 out of 1 in the Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:26.1
occ:1.00
 CL1 A:UNW405 0.0 26.1 1.0
C2 A:UNW405 1.7 24.8 1.0
H68 A:UNW405 2.7 25.6 1.0
C3 A:UNW405 2.7 24.0 1.0
C14 A:UNW405 2.7 25.3 1.0
H39 A:UNW405 2.8 23.9 1.0
OE1 A:GLN105 2.9 24.0 1.0
C38 A:UNW405 3.1 25.6 1.0
C15 A:UNW405 3.2 26.6 1.0
CD A:GLN105 3.4 22.5 1.0
CB A:GLN105 3.7 22.0 1.0
N13 A:UNW405 3.9 24.4 1.0
N4 A:UNW405 3.9 22.5 1.0
NE2 A:GLN105 4.1 21.8 1.0
CG A:GLN105 4.1 19.2 1.0
C37 A:UNW405 4.2 26.1 1.0
CD1 A:LEU156 4.3 22.7 1.0
C16 A:UNW405 4.3 27.2 1.0
CB A:ALA52 4.3 30.0 1.0
CG1 A:ILE84 4.3 22.6 1.0
C5 A:UNW405 4.4 24.4 1.0
O A:ASP106 4.6 25.6 1.0
O A:HOH578 4.6 23.0 1.0
CD1 A:ILE84 4.6 24.8 1.0
NZ A:LYS54 4.6 24.1 1.0
H50 A:UNW405 4.7 27.2 1.0
CD A:LYS54 4.9 29.3 1.0

Reference:

T.D.Heightman, V.Berdini, L.Bevan, I.M.Buck, M.G.Carr, A.Courtin, J.E.Coyle, J.E.H.Day, C.East, L.Fazal, C.M.Griffiths-Jones, S.Howard, J.Kucia-Tran, V.Martins, S.Muench, J.M.Munck, D.Norton, M.O'reilly, N.Palmer, P.Pathuri, T.M.Peakman, M.Reader, D.C.Rees, S.J.Rich, A.Shah, N.G.Wallis, H.Walton, N.E.Wilsher, A.J.Woolford, M.Cooke, D.Cousin, S.Onions, J.Shannon, J.Watts, C.W.Murray. Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem. V. 64 12286 2021.
ISSN: ISSN 0022-2623
PubMed: 34387469
DOI: 10.1021/ACS.JMEDCHEM.1C00905
Page generated: Sun Jul 13 04:33:25 2025

Last articles

Mg in 5DJG
Mg in 5DJ3
Mg in 5DJ1
Mg in 5DIS
Mg in 5DIQ
Mg in 5DI3
Mg in 5DIF
Mg in 5DI9
Mg in 5DHI
Mg in 5DH6
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy