Atomistry » Iodine » PDB 4xnw-5ax3 » 4yll
Atomistry »
  Iodine »
    PDB 4xnw-5ax3 »
      4yll »

Iodine in PDB 4yll: Crystal Structure of DYRK1AA in Complex with 10-Bromo-Substituted 11H- Indolo[3,2-C]Quinolone-6-Carboxylic Acid Inhibitor 5T

Enzymatic activity of Crystal Structure of DYRK1AA in Complex with 10-Bromo-Substituted 11H- Indolo[3,2-C]Quinolone-6-Carboxylic Acid Inhibitor 5T

All present enzymatic activity of Crystal Structure of DYRK1AA in Complex with 10-Bromo-Substituted 11H- Indolo[3,2-C]Quinolone-6-Carboxylic Acid Inhibitor 5T:
2.7.12.1;

Protein crystallography data

The structure of Crystal Structure of DYRK1AA in Complex with 10-Bromo-Substituted 11H- Indolo[3,2-C]Quinolone-6-Carboxylic Acid Inhibitor 5T, PDB code: 4yll was solved by A.Chaikuad, H.Falke, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, C.Kunick, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.42 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 100.030, 69.860, 67.900, 90.00, 117.72, 90.00
R / Rfree (%) 15.1 / 17.2

Other elements in 4yll:

The structure of Crystal Structure of DYRK1AA in Complex with 10-Bromo-Substituted 11H- Indolo[3,2-C]Quinolone-6-Carboxylic Acid Inhibitor 5T also contains other interesting chemical elements:

Bromine (Br) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of DYRK1AA in Complex with 10-Bromo-Substituted 11H- Indolo[3,2-C]Quinolone-6-Carboxylic Acid Inhibitor 5T (pdb code 4yll). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of DYRK1AA in Complex with 10-Bromo-Substituted 11H- Indolo[3,2-C]Quinolone-6-Carboxylic Acid Inhibitor 5T, PDB code: 4yll:

Iodine binding site 1 out of 1 in 4yll

Go back to Iodine Binding Sites List in 4yll
Iodine binding site 1 out of 1 in the Crystal Structure of DYRK1AA in Complex with 10-Bromo-Substituted 11H- Indolo[3,2-C]Quinolone-6-Carboxylic Acid Inhibitor 5T


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of DYRK1AA in Complex with 10-Bromo-Substituted 11H- Indolo[3,2-C]Quinolone-6-Carboxylic Acid Inhibitor 5T within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I515

b:7.7
occ:0.86
 I A:4E3515 0.0 7.7 0.9
CAN A:4E3515 2.1 8.6 1.0
CAG A:4E3515 3.0 8.8 1.0
CAJ A:4E3515 3.1 8.6 1.0
CA A:GLY166 3.6 8.1 1.0
N A:LYS167 3.7 8.9 1.0
O A:HOH750 3.8 8.3 1.0
O A:LYS167 3.8 10.4 1.0
O A:HOH658 4.1 27.7 1.0
C A:GLY166 4.2 8.2 1.0
O A:HOH785 4.3 22.0 1.0
CAI A:4E3515 4.3 9.1 1.0
CAR A:4E3515 4.4 9.2 1.0
O A:HOH832 4.5 10.9 1.0
O A:ILE165 4.6 8.3 1.0
O A:HOH900 4.7 25.6 1.0
O A:HOH1095 4.7 27.0 1.0
O A:HOH710 4.7 7.3 1.0
C A:LYS167 4.7 9.7 1.0
CA A:LYS167 4.8 9.2 0.5
CA A:LYS167 4.9 9.3 0.5
CAQ A:4E3515 4.9 9.3 1.0
N A:GLY166 4.9 7.7 1.0

Reference:

H.Falke, A.Chaikuad, A.Becker, N.Loaec, O.Lozach, S.Abu Jhaisha, W.Becker, P.G.Jones, L.Preu, K.Baumann, S.Knapp, L.Meijer, C.Kunick. 10-Iodo-11H-Indolo[3,2-C]Quinoline-6-Carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem. 2015.
ISSN: ISSN 0022-2623
PubMed: 25730262
DOI: 10.1021/JM501994D
Page generated: Sun Aug 11 20:26:16 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