Atomistry » Chlorine » PDB 5up7-5uwu » 5usq
Atomistry »
  Chlorine »
    PDB 5up7-5uwu »
      5usq »

Chlorine in PDB 5usq: Alk-5 Kinase Inhibitor Complex

Enzymatic activity of Alk-5 Kinase Inhibitor Complex

All present enzymatic activity of Alk-5 Kinase Inhibitor Complex:
2.7.11.30;

Protein crystallography data

The structure of Alk-5 Kinase Inhibitor Complex, PDB code: 5usq was solved by D.R.Dougan, J.D.Lawson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.35 / 2.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.589, 78.330, 90.712, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 23.1

Other elements in 5usq:

The structure of Alk-5 Kinase Inhibitor Complex also contains other interesting chemical elements:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Alk-5 Kinase Inhibitor Complex (pdb code 5usq). 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 Alk-5 Kinase Inhibitor Complex, PDB code: 5usq:

Chlorine binding site 1 out of 1 in 5usq

Go back to Chlorine Binding Sites List in 5usq
Chlorine binding site 1 out of 1 in the Alk-5 Kinase Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Alk-5 Kinase Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl500

b:27.1
occ:1.00
CL6 A:8LY500 0.0 27.1 1.0
C5 A:8LY500 1.7 26.2 1.0
C7 A:8LY500 2.7 25.8 1.0
C4 A:8LY500 2.7 26.0 1.0
CE2 A:TYR249 3.3 19.5 1.0
CD2 A:TYR249 3.3 18.7 1.0
CZ A:TYR249 3.5 20.5 1.0
CG A:TYR249 3.7 18.4 1.0
CD1 A:PHE262 3.7 16.6 1.0
CE1 A:TYR249 3.9 20.0 1.0
CD1 A:TYR249 3.9 19.3 1.0
C8 A:8LY500 4.0 27.0 1.0
C3 A:8LY500 4.0 26.0 1.0
CD1 A:LEU278 4.1 17.4 1.0
O A:HOH601 4.2 22.0 1.0
OH A:TYR249 4.2 21.9 1.0
CB A:LEU278 4.3 17.1 1.0
CE1 A:PHE262 4.3 16.6 1.0
CB A:TYR249 4.5 18.0 1.0
C2 A:8LY500 4.5 26.1 1.0
CG A:LEU278 4.6 17.1 1.0
CB A:SER280 4.7 17.6 1.0
CG A:PHE262 4.8 16.7 1.0
O A:VAL279 4.8 16.8 1.0
CD2 A:LEU278 4.9 17.1 1.0
CB A:PHE262 4.9 17.2 1.0
CG A:GLU245 4.9 23.7 1.0
OE2 A:GLU245 5.0 27.9 1.0

Reference:

M.Sabat, H.Wang, N.Scorah, J.D.Lawson, J.Atienza, R.Kamran, M.S.Hixon, D.R.Dougan. Design, Synthesis and Optimization of 7-Substituted-Pyrazolo[4,3-B]Pyridine ALK5 (Activin Receptor-Like Kinase 5) Inhibitors. Bioorg. Med. Chem. Lett. V. 27 1955 2017.
ISSN: ESSN 1464-3405
PubMed: 28359790
DOI: 10.1016/J.BMCL.2017.03.026
Page generated: Fri Jul 26 18:16:14 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy