Atomistry » Chlorine » PDB 4znq-4zyb » 4zth
Atomistry »
  Chlorine »
    PDB 4znq-4zyb »
      4zth »

Chlorine in PDB 4zth: Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery

Enzymatic activity of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery

All present enzymatic activity of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery:
2.7.11.24;

Protein crystallography data

The structure of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery, PDB code: 4zth was solved by V.L.Grum-Tokars, S.M.Roy, D.M.Watterson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.767, 74.501, 77.669, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 24

Other elements in 4zth:

The structure of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery also contains other interesting chemical elements:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery (pdb code 4zth). 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 Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery, PDB code: 4zth:

Chlorine binding site 1 out of 1 in 4zth

Go back to Chlorine Binding Sites List in 4zth
Chlorine binding site 1 out of 1 in the Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human P38AMAPK-Arylpyridazinylpyridine Fragment Complex Used in Inhibitor Discovery within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:48.9
occ:1.00
 CL7 A:VVT401 0.0 48.9 1.0
C3 A:VVT401 1.8 40.6 1.0
N2 A:VVT401 2.7 40.6 1.0
C4 A:VVT401 2.8 40.0 1.0
O A:HOH577 3.1 52.3 1.0
CA A:GLY170 3.6 71.9 1.0
CG A:LEU171 3.7 65.5 1.0
N A:LEU171 3.8 67.3 1.0
C A:GLY170 3.9 72.1 1.0
CD1 A:LEU167 4.0 53.9 1.0
N1 A:VVT401 4.0 36.3 1.0
O A:HOH563 4.1 49.3 1.0
O A:HOH634 4.1 48.1 1.0
C5 A:VVT401 4.1 41.3 1.0
CD1 A:LEU171 4.1 62.4 1.0
CB A:LEU171 4.4 64.7 1.0
C A:VVT401 4.5 34.2 1.0
CD2 A:LEU171 4.6 60.4 1.0
CA A:LEU171 4.7 66.3 1.0
O A:GLY170 4.7 72.8 1.0
CD2 A:LEU167 4.9 61.0 1.0
N A:GLY170 4.9 64.0 1.0
O A:SER154 5.0 39.0 1.0

Reference:

V.L.Grum-Tokars, S.M.Roy, D.M.Watterson. Structure of Human P38AMAPK-Arylpyridazinylpyridine Scaffold Complex Used in Inhibitor Discovery To Be Published.
Page generated: Fri Jul 26 04:51:25 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