Atomistry » Chlorine » PDB 5bve-5c2a » 5bvk
Atomistry »
  Chlorine »
    PDB 5bve-5c2a »
      5bvk »

Chlorine in PDB 5bvk: 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: 5bvk 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) 52.00 / 2.29
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.026, 71.505, 76.682, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 23.2

Other elements in 5bvk:

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

Iodine (I) 6 atoms

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 1 in 5bvk

Go back to Chlorine Binding Sites List in 5bvk
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1007

b:60.0
occ:1.00
CL1 A:4VC1007 0.0 60.0 1.0
C2 A:4VC1007 1.7 47.8 1.0
H23 A:4VC1007 2.6 38.9 1.0
C3 A:4VC1007 2.7 42.5 1.0
C7 A:4VC1007 2.7 40.6 1.0
H19 A:4VC1007 2.8 43.2 1.0
N8 A:4VC1007 3.0 37.1 1.0
CG A:GLU672 3.6 31.5 1.0
C4 A:4VC1007 4.0 40.4 1.0
C6 A:4VC1007 4.0 38.5 1.0
C9 A:4VC1007 4.2 39.3 1.0
CD A:GLU672 4.2 39.2 1.0
H24 A:4VC1007 4.4 40.1 1.0
CG2 A:ILE675 4.4 31.4 1.0
CB A:ASP784 4.4 41.2 1.0
OE2 A:GLU672 4.4 45.5 1.0
OD2 A:ASP784 4.4 50.2 1.0
C5 A:4VC1007 4.5 38.0 1.0
O A:ASP784 4.7 46.2 1.0
N11 A:4VC1007 4.7 40.6 1.0
CD1 A:ILE675 4.7 28.6 1.0
H20 A:4VC1007 4.7 38.9 1.0
H22 A:4VC1007 4.7 37.7 1.0
CB A:ILE675 4.8 30.4 1.0
CB A:GLU672 4.8 28.8 1.0
CG A:ASP784 4.9 46.1 1.0
CG A:MET676 4.9 38.0 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: Sat Dec 12 11:33:17 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy