Atomistry » Chlorine » PDB 7nk3-7nqz » 7nqw
Atomistry »
  Chlorine »
    PDB 7nk3-7nqz »
      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: Tue Jul 30 01:04:46 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy