Atomistry » Fluorine » PDB 4c6l-4cqj » 4cbt
Atomistry »
  Fluorine »
    PDB 4c6l-4cqj »
      4cbt »

Fluorine in PDB 4cbt: Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease

Enzymatic activity of Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease

All present enzymatic activity of Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease:
3.5.1.98;

Protein crystallography data

The structure of Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease, PDB code: 4cbt was solved by R.W.Burli, C.A.Luckhurst, O.Aziz, K.L.Matthews, D.Yates, K.A.Lyons, M.Beconi, G.Mcallister, P.Breccia, A.J.Stott, S.D.Penrose, M.Wall, M.Lamers, P.Leonard, I.Mueller, C.M.Richardson, R.Jarvis, L.Stones, S.Hughes, G.Wishart, A.F.Haughan, C.Oconnell, T.Mead, H.Mcneil, J.Vann, J.Mangette, M.Maillard, V.Beaumont, I.Munoz-Sanjuan, C.Dominguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 90.42 / 3.03
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 104.410, 104.410, 88.440, 90.00, 90.00, 120.00
R / Rfree (%) 21.139 / 27.335

Other elements in 4cbt:

The structure of Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease also contains other interesting chemical elements:

Zinc (Zn) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease (pdb code 4cbt). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease, PDB code: 4cbt:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 4cbt

Go back to Fluorine Binding Sites List in 4cbt
Fluorine binding site 1 out of 3 in the Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2035

b:34.0
occ:1.00
 F26 A:9F42035 0.0 34.0 1.0
C23 A:9F42035 1.3 33.6 1.0
C22 A:9F42035 2.4 33.2 1.0
C24 A:9F42035 2.4 33.6 1.0
N25 A:9F42035 3.6 33.3 1.0
N21 A:9F42035 3.6 33.0 1.0
C20 A:9F42035 4.0 33.0 1.0

Fluorine binding site 2 out of 3 in 4cbt

Go back to Fluorine Binding Sites List in 4cbt
Fluorine binding site 2 out of 3 in the Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2034

b:34.7
occ:1.00
 F26 B:9F42034 0.0 34.7 1.0
C23 B:9F42034 1.3 33.7 1.0
C24 B:9F42034 2.4 33.4 1.0
C22 B:9F42034 2.4 33.4 1.0
N25 B:9F42034 3.6 33.0 1.0
N21 B:9F42034 3.6 33.1 1.0
C20 B:9F42034 4.0 32.5 1.0

Fluorine binding site 3 out of 3 in 4cbt

Go back to Fluorine Binding Sites List in 4cbt
Fluorine binding site 3 out of 3 in the Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Hdac Inhibitors As A Potential Therapy For Huntingtons Disease within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2035

b:38.5
occ:1.00
 F26 C:9F42035 0.0 38.5 1.0
C23 C:9F42035 1.3 38.2 1.0
C24 C:9F42035 2.4 38.3 1.0
C22 C:9F42035 2.4 38.1 1.0
N25 C:9F42035 3.6 38.1 1.0
N21 C:9F42035 3.6 38.0 1.0
C20 C:9F42035 4.0 37.8 1.0

Reference:

R.W.Burli, C.A.Luckhurst, O.Aziz, K.L.Matthews, D.Yates, K.A.Lyons, M.Beconi, G.Mcallister, P.Breccia, A.J.Stott, S.D.Penrose, M.Wall, M.B.A.C.Lamers, P.Leonard, I.Mueller, C.M.Richardson, R.Jarvis, L.Stones, S.Hughes, G.Wishart, A.F.Haughan, C.O'connell, T.Mead, H.Mcneil, J.Vann, J.Mangette, M.Maillard, V.Beaumont, I.Munoz-Sanjuan, C.Dominguez. Design, Synthesis, and Biological Evaluation of Potent and Selective Class Iia Histone Deacetylase (Hdac) Inhibitors As A Potential Therapy For Huntington'S Disease. J.Med.Chem. V. 56 9934 2013.
ISSN: ISSN 0022-2623
PubMed: 24261862
DOI: 10.1021/JM4011884
Page generated: Thu Aug 1 00:41:42 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