Atomistry » Chlorine » PDB 7apy-7avw » 7auv
Atomistry »
  Chlorine »
    PDB 7apy-7avw »
      7auv »

Chlorine in PDB 7auv: The Structure of ERK2 in Complex with Dual Inhibitor ASTX029

Enzymatic activity of The Structure of ERK2 in Complex with Dual Inhibitor ASTX029

All present enzymatic activity of The Structure of ERK2 in Complex with Dual Inhibitor ASTX029:
2.7.11.24;

Protein crystallography data

The structure of The Structure of ERK2 in Complex with Dual Inhibitor ASTX029, PDB code: 7auv 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) 30.16 / 1.76
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.001, 71.049, 60.92, 90, 110.5, 90
R / Rfree (%) 16.7 / 22.9

Other elements in 7auv:

The structure of The Structure of ERK2 in Complex with Dual Inhibitor ASTX029 also contains other interesting chemical elements:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of ERK2 in Complex with Dual Inhibitor ASTX029 (pdb code 7auv). 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 The Structure of ERK2 in Complex with Dual Inhibitor ASTX029, PDB code: 7auv:

Chlorine binding site 1 out of 1 in 7auv

Go back to Chlorine Binding Sites List in 7auv
Chlorine binding site 1 out of 1 in the The Structure of ERK2 in Complex with Dual Inhibitor ASTX029


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of ERK2 in Complex with Dual Inhibitor ASTX029 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:23.9
occ:1.00
CL1 A:RYW405 0.0 23.9 1.0
C40 A:RYW405 1.7 23.6 1.0
H61 A:RYW405 2.6 19.5 1.0
C39 A:RYW405 2.7 20.8 1.0
C28 A:RYW405 2.8 21.2 1.0
H72 A:RYW405 2.8 20.8 1.0
OE1 A:GLN105 3.1 18.7 1.0
C24 A:RYW405 3.1 19.5 1.0
C23 A:RYW405 3.2 17.2 1.0
O A:HOH787 3.4 38.1 1.0
CD A:GLN105 3.5 23.2 1.0
CB A:GLN105 3.6 19.6 1.0
N38 A:RYW405 4.0 20.4 1.0
N29 A:RYW405 4.0 22.2 1.0
CG A:GLN105 4.1 19.3 1.0
CD1 A:LEU156 4.1 20.9 1.0
NE2 A:GLN105 4.1 21.2 1.0
CB A:ALA52 4.2 26.0 1.0
C25 A:RYW405 4.3 25.1 1.0
CG1 A:ILE84 4.3 19.8 1.0
C22 A:RYW405 4.4 22.9 1.0
C30 A:RYW405 4.4 20.6 1.0
O A:ASP106 4.4 23.6 1.0
CD1 A:ILE84 4.6 22.5 1.0
O A:HOH709 4.9 25.9 1.0
H60 A:RYW405 4.9 22.9 1.0
CA A:GLN105 5.0 19.8 1.0

Reference:

J.M.Munck, V.Berdini, L.Bevan, J.L.Brothwood, J.Castro, A.Courtin, C.East, R.Ferraldeschi, T.D.Heightman, C.J.Hindley, J.Kucia-Tran, J.F.Lyons, V.Martins, S.Muench, C.W.Murray, D.Norton, M.O'reilly, M.Reader, D.C.Rees, S.J.Rich, C.J.Richardson, A.D.Shah, L.Stanczuk, N.T.Thompson, N.E.Wilsher, A.J.Woolford, N.G.Wallis. ASTX029, A Novel Dual-Mechanism Erk Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of Erk. Mol.Cancer Ther. 2021.
ISSN: ESSN 1538-8514
PubMed: 34330842
DOI: 10.1158/1535-7163.MCT-20-0909
Page generated: Mon Jul 29 18:42:53 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy