Atomistry » Chlorine » PDB 5w5o-5we8 » 5wal
Atomistry »
  Chlorine »
    PDB 5w5o-5we8 »
      5wal »

Chlorine in PDB 5wal: Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model

Enzymatic activity of Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model

All present enzymatic activity of Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model:
2.7.10.2;

Protein crystallography data

The structure of Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model, PDB code: 5wal was solved by M.H.Ultsch, S.Magnuson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.93 / 2.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.097, 74.301, 106.444, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 24.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model (pdb code 5wal). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model, PDB code: 5wal:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5wal

Go back to Chlorine Binding Sites List in 5wal
Chlorine binding site 1 out of 2 in the Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1201

b:22.9
occ:1.00
CL7 A:9ZS1201 0.0 22.9 1.0
C5 A:9ZS1201 1.7 21.3 1.0
C6 A:9ZS1201 2.7 20.4 1.0
C4 A:9ZS1201 2.7 21.7 1.0
C8 A:9ZS1201 3.0 23.1 1.0
N9 A:9ZS1201 3.3 24.8 1.0
CD2 A:LEU1030 3.6 30.6 1.0
C A:GLY1040 3.7 33.8 1.0
N17 A:9ZS1201 3.8 23.1 1.0
O A:GLY1040 3.8 35.4 1.0
CB A:ASP1041 3.9 28.9 1.0
CG A:LEU1030 3.9 28.4 1.0
N A:ASP1041 4.0 28.4 1.0
CA A:GLY1040 4.0 28.6 1.0
C1 A:9ZS1201 4.0 19.4 1.0
C3 A:9ZS1201 4.0 22.2 1.0
O A:ARG1027 4.0 29.4 1.0
CA A:ASN1028 4.1 22.5 1.0
CD1 A:LEU1030 4.1 28.1 1.0
C11 A:9ZS1201 4.2 24.7 1.0
C A:ASN1028 4.3 24.8 1.0
O A:ASN1028 4.3 24.1 1.0
OD1 A:ASN1028 4.4 25.1 1.0
CA A:ASP1041 4.4 27.6 1.0
C16 A:9ZS1201 4.5 23.1 1.0
C2 A:9ZS1201 4.5 20.4 1.0
OD2 A:ASP1041 4.6 46.2 1.0
O A:HOH1351 4.7 20.1 1.0
O A:HOH1360 4.7 24.5 1.0
CG A:ASP1041 4.8 37.8 1.0
N A:GLY1040 4.8 27.6 1.0
CB A:ASN1028 4.8 19.3 1.0
C A:ARG1027 4.9 28.4 1.0
N A:ASN1028 4.9 23.5 1.0

Chlorine binding site 2 out of 2 in 5wal

Go back to Chlorine Binding Sites List in 5wal
Chlorine binding site 2 out of 2 in the Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1201

b:27.4
occ:1.00
CL24 A:9ZS1201 0.0 27.4 1.0
C3 A:9ZS1201 1.7 22.2 1.0
C4 A:9ZS1201 2.7 21.7 1.0
C2 A:9ZS1201 2.7 20.4 1.0
C8 A:9ZS1201 3.0 23.1 1.0
N17 A:9ZS1201 3.4 23.1 1.0
N A:GLY904 3.5 24.4 1.0
C A:LEU903 3.5 27.8 1.0
CB A:VAL911 3.6 30.2 1.0
O A:LEU903 3.6 27.6 1.0
CA A:GLY904 3.6 24.5 1.0
CG2 A:VAL911 3.8 30.2 1.0
CB A:LEU903 3.8 22.6 1.0
N9 A:9ZS1201 3.9 24.8 1.0
C5 A:9ZS1201 4.0 21.3 1.0
C1 A:9ZS1201 4.0 19.4 1.0
O A:HOH1351 4.0 20.1 1.0
C A:GLY904 4.0 31.2 1.0
CG1 A:VAL911 4.1 28.9 1.0
CA A:LEU903 4.3 23.7 1.0
N A:GLU905 4.4 32.2 1.0
C16 A:9ZS1201 4.4 23.1 1.0
O20 A:9ZS1201 4.5 23.3 1.0
C6 A:9ZS1201 4.5 20.4 1.0
O A:GLY904 4.6 29.6 1.0
C11 A:9ZS1201 4.6 24.7 1.0
O A:HOH1302 4.6 16.6 1.0
CA A:VAL911 4.8 27.3 1.0

Reference:

J.Liang, A.Van Abbema, M.Balazs, K.Barrett, L.Berezhkovsky, W.S.Blair, C.Chang, D.Delarosa, J.Devoss, J.Driscoll, C.Eigenbrot, S.Goodacre, N.Ghilardi, C.Macleod, A.Johnson, P.Bir Kohli, Y.Lai, Z.Lin, P.Mantik, K.Menghrajani, H.Nguyen, I.Peng, A.Sambrone, S.Shia, J.Smith, S.Sohn, V.Tsui, M.Ultsch, K.Williams, L.C.Wu, W.Yang, B.Zhang, S.Magnuson. Identification of An Imidazopyridine Scaffold to Generate Potent and Selective TYK2 Inhibitors That Demonstrate Activity in An in Vivo Psoriasis Model. Bioorg. Med. Chem. Lett. V. 27 4370 2017.
ISSN: ESSN 1464-3405
PubMed: 28830649
DOI: 10.1016/J.BMCL.2017.08.022
Page generated: Sat Jul 12 10:11:53 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy