Atomistry » Calcium » PDB 7aq2-7b1l » 7ax4
Atomistry »
  Calcium »
    PDB 7aq2-7b1l »
      7ax4 »

Calcium in PDB 7ax4: Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide

Enzymatic activity of Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide

All present enzymatic activity of Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide:
2.7.10.2;

Protein crystallography data

The structure of Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide, PDB code: 7ax4 was solved by P.Rowland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.41 / 2.12
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.6, 48.46, 121.35, 90, 92.95, 90
R / Rfree (%) 18.4 / 22.9

Other elements in 7ax4:

The structure of Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide (pdb code 7ax4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide, PDB code: 7ax4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 7ax4

Go back to Calcium Binding Sites List in 7ax4
Calcium binding site 1 out of 2 in the Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca2001

b:41.9
occ:1.00
O A:GLU702 2.1 46.2 1.0
O A:HOH2132 2.3 37.1 1.0
OD2 A:ASP810 2.3 51.4 1.0
O A:LEU699 2.3 26.4 1.0
O A:GLY704 2.3 49.4 1.0
OD1 A:ASP810 2.6 46.4 1.0
O A:HOH2134 2.7 41.6 1.0
CG A:ASP810 2.8 46.2 1.0
C A:GLU702 3.3 47.2 1.0
C A:GLY704 3.5 51.0 1.0
C A:LEU699 3.5 27.0 1.0
O A:HOH2171 3.7 60.0 1.0
CA A:GLU702 4.1 41.8 1.0
N A:GLY704 4.1 48.6 1.0
O A:HOH2189 4.2 44.7 1.0
O A:ARG700 4.2 31.4 1.0
N A:GLU702 4.2 40.4 1.0
CB A:ASP810 4.3 32.1 1.0
CB A:GLU702 4.3 42.3 1.0
C A:ARG703 4.3 51.9 1.0
N A:ARG703 4.4 46.0 1.0
C A:ARG700 4.4 32.3 1.0
CA A:GLY704 4.4 48.4 1.0
CA A:LEU699 4.4 22.1 1.0
N A:HIS705 4.5 47.4 1.0
N A:ARG700 4.5 24.4 1.0
CA A:ARG700 4.5 24.8 1.0
CA A:HIS705 4.6 45.9 1.0
CA A:ARG703 4.7 47.4 1.0
O A:ARG703 4.7 51.9 1.0
O A:ASP810 4.8 31.2 1.0
C A:ARG701 4.9 40.6 1.0
O A:HOH2111 4.9 46.6 1.0
O A:HOH2153 5.0 31.1 1.0

Calcium binding site 2 out of 2 in 7ax4

Go back to Calcium Binding Sites List in 7ax4
Calcium binding site 2 out of 2 in the Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human TYK2 Pseudokinase Domain (575-869) in Complex with 5-(4-Fluoro- Phenyl)-2-Ureido-Thiophene-3-Carboxylic Acid Amide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2001

b:41.4
occ:1.00
O B:GLU702 2.1 44.8 1.0
O B:HOH2129 2.1 38.3 1.0
O B:LEU699 2.3 26.1 1.0
OD2 B:ASP810 2.4 51.5 1.0
O B:GLY704 2.4 51.7 1.0
O B:HOH2158 2.6 43.5 1.0
OD1 B:ASP810 2.6 41.3 1.0
CG B:ASP810 2.8 43.0 1.0
C B:GLU702 3.3 45.6 1.0
C B:LEU699 3.5 26.6 1.0
C B:GLY704 3.6 54.0 1.0
CA B:GLU702 4.0 39.5 1.0
N B:GLY704 4.1 50.3 1.0
N B:GLU702 4.1 38.0 1.0
O B:ARG700 4.2 32.1 1.0
O B:HOH2198 4.2 68.5 1.0
CB B:GLU702 4.2 39.7 1.0
C B:ARG703 4.3 52.4 1.0
N B:ARG703 4.3 44.4 1.0
CB B:ASP810 4.3 29.5 1.0
O B:HOH2248 4.3 54.3 1.0
C B:ARG700 4.3 31.8 1.0
CA B:LEU699 4.4 23.3 1.0
N B:ARG700 4.4 24.0 1.0
CA B:GLY704 4.4 50.2 1.0
CA B:ARG700 4.5 24.4 1.0
N B:HIS705 4.5 52.0 1.0
CA B:HIS705 4.6 51.0 1.0
CA B:ARG703 4.6 45.7 1.0
O B:ARG703 4.7 52.0 1.0
O B:ASP810 4.8 30.1 1.0
C B:ARG701 4.8 39.5 1.0
O B:HOH2133 4.9 51.9 1.0
O B:HOH2146 4.9 28.9 1.0
N B:ARG701 5.0 30.6 1.0

Reference:

L.A.Greenhough, G.Clarke, A.N.Phillipou, F.Mazani, B.Karamshi, S.Rowe, P.Rowland, C.Messenger, C.P.Haslam, R.P.Bingham, P.D.Craggs. Reducing False Positives Through the Application of Fluorescence Lifetime Technology: A Comparative Study Using TYK2 Kinase As A Model System. Slas Discov 02472 2021.
ISSN: ISSN 2472-5560
PubMed: 33783261
DOI: 10.1177/24725552211002472
Page generated: Wed Jul 9 20:52:59 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