Atomistry » Fluorine » PDB 5btf-5cgq » 5bvn
Atomistry »
  Fluorine »
    PDB 5btf-5cgq »
      5bvn »

Fluorine in PDB 5bvn: Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors

Enzymatic activity of Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors

All present enzymatic activity of Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors:
2.7.10.1;

Protein crystallography data

The structure of Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors, PDB code: 5bvn was solved by C.Murray, V.Berdini, I.Buck, M.Carr, A.Cleasby, J.Coyle, J.Curry, J.Day, K.Hearn, A.Iqbal, L.Lee, V.Martins, P.Mortenson, J.Munck, L.Page, S.Patel, S.Roomans, T.Kirsten, G.Saxty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.80 / 2.21
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.040, 78.497, 74.499, 90.00, 90.00, 90.00
R / Rfree (%) 25.2 / 32.8

Other elements in 5bvn:

The structure of Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors also contains other interesting chemical elements:

Iodine (I) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors (pdb code 5bvn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors, PDB code: 5bvn:

Fluorine binding site 1 out of 1 in 5bvn

Go back to Fluorine Binding Sites List in 5bvn
Fluorine binding site 1 out of 1 in the Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1002

b:28.0
occ:1.00
F16 A:4VD1002 0.0 28.0 1.0
C15 A:4VD1002 1.4 28.0 1.0
C17 A:4VD1002 2.3 26.2 1.0
C14 A:4VD1002 2.3 32.1 1.0
H44 A:4VD1002 2.5 26.0 1.0
H43 A:4VD1002 2.5 32.6 1.0
C13 A:4VD1002 3.6 30.4 1.0
C11 A:4VD1002 3.6 22.9 1.0
O A:ILE782 3.7 19.4 1.0
CD1 A:LEU679 3.8 29.0 1.0
CG2 A:ILE684 3.8 19.5 1.0
CA A:ALA783 3.8 17.2 1.0
C A:ALA783 3.9 16.8 1.0
NE2 A:HIS764 3.9 12.9 1.0
CD2 A:HIS764 3.9 13.1 1.0
O A:ALA783 4.0 14.9 1.0
C A:ILE782 4.1 20.7 1.0
C12 A:4VD1002 4.1 25.8 1.0
N A:ALA783 4.1 17.4 1.0
CG2 A:ILE782 4.2 20.8 1.0
CG2 A:ILE685 4.3 23.1 1.0
H42 A:4VD1002 4.4 30.9 1.0
N A:ASP784 4.4 14.3 1.0
O9 A:4VD1002 4.7 20.6 1.0
CB A:ASP784 4.7 14.1 1.0
N10 A:4VD1002 4.8 19.2 1.0
CB A:ILE782 4.8 20.2 1.0
O A:HOH1176 5.0 8.8 1.0
CD1 A:LEU757 5.0 18.2 1.0

Reference:

C.W.Murray, V.Berdini, I.M.Buck, M.E.Carr, A.Cleasby, J.E.Coyle, J.E.Curry, J.E.Day, P.J.Day, K.Hearn, A.Iqbal, L.Y.Lee, V.Martins, P.N.Mortenson, J.M.Munck, L.W.Page, S.Patel, S.Roomans, K.Smith, E.Tamanini, G.Saxty. Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett. V. 6 798 2015.
ISSN: ISSN 1948-5875
PubMed: 26191369
DOI: 10.1021/ACSMEDCHEMLETT.5B00143
Page generated: Tue Jul 15 02:44:45 2025

Last articles

F in 7KZ4
F in 7KYV
F in 7KYT
F in 7KYB
F in 7KYC
F in 7KYA
F in 7KY5
F in 7KXW
F in 7KY9
F in 7KWA
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy