Atomistry » Chlorine » PDB 5eaf-5eic » 5egm
Atomistry »
  Chlorine »
    PDB 5eaf-5eic »
      5egm »

Chlorine in PDB 5egm: Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors

Enzymatic activity of Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors

All present enzymatic activity of Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors:
3.4.21.22;

Protein crystallography data

The structure of Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors, PDB code: 5egm was solved by D.Meng, P.Andre, T.J.Bateman, R.Berger, Y.Chen, K.Desai, S.Dewnani, K.Ellsworth, D.Feng, W.M.Geissler, L.Guo, A.Hruza, T.Jian, H.Li, D.L.Parker, P.Reichert, E.C.Sherer, C.J.Smith, L.M.Sonatore, R.Tschirret-Guth, J.Wu, J.Xu, T.Zhang, L.Campeau, R.Orr, M.Poirier, J.Mccabe-Dunn, K.Araki, T.Nishimura, I.Sakurada, T.Hirabayashi, H.B.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.25 / 1.84
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 99.298, 99.298, 94.685, 90.00, 90.00, 120.00
R / Rfree (%) 14.8 / 17.1

Other elements in 5egm:

The structure of Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors (pdb code 5egm). 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 Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors, PDB code: 5egm:

Chlorine binding site 1 out of 1 in 5egm

Go back to Chlorine Binding Sites List in 5egm
Chlorine binding site 1 out of 1 in the Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:38.4
occ:1.00
CL A:5NY303 0.0 38.4 1.0
C25 A:5NY303 1.7 34.5 1.0
C24 A:5NY303 2.7 33.5 1.0
C20 A:5NY303 2.7 34.8 1.0
H20 A:5NY303 2.8 32.7 0.0
HB2 A:TRP215 2.8 25.9 1.0
H17 A:5NY303 2.8 31.9 0.0
H10 A:5NY303 2.9 32.9 0.0
HH A:TYR99 2.9 56.4 1.0
N1 A:5NY303 3.2 32.6 1.0
C19 A:5NY303 3.2 35.2 1.0
C8 A:5NY303 3.3 31.4 1.0
C7 A:5NY303 3.3 29.6 1.0
H A:GLY216 3.4 26.0 1.0
OH A:TYR99 3.5 57.1 1.0
C12 A:5NY303 3.6 32.5 1.0
O A:GLY216 3.6 27.3 1.0
C28 A:5NY303 3.7 38.8 1.0
N A:5NY303 3.8 28.8 1.0
HE1 A:TYR99 3.8 41.5 1.0
CB A:TRP215 3.8 24.3 1.0
CZ A:TYR99 3.8 50.5 1.0
C5 A:5NY303 3.9 29.0 1.0
N8 A:5NY303 3.9 45.1 1.0
HB3 A:TRP215 3.9 24.1 1.0
CE1 A:TYR99 4.0 41.5 1.0
C23 A:5NY303 4.0 37.4 1.0
C21 A:5NY303 4.0 38.1 1.0
HE3 A:TRP215 4.0 27.6 1.0
C4 A:5NY303 4.1 28.4 1.0
O A:5NY303 4.1 32.8 1.0
C10 A:5NY303 4.3 32.9 1.0
HA A:TRP215 4.3 24.0 1.0
N A:GLY216 4.3 25.4 1.0
H11 A:5NY303 4.4 32.6 0.0
C11 A:5NY303 4.4 33.7 1.0
N5 A:5NY303 4.5 44.5 1.0
C22 A:5NY303 4.5 39.8 1.0
C9 A:5NY303 4.6 28.5 1.0
CA A:TRP215 4.7 23.5 1.0
CE2 A:TYR99 4.7 43.6 1.0
C A:GLY216 4.7 29.2 1.0
C6 A:5NY303 4.7 25.2 1.0
CG A:TRP215 4.8 25.7 1.0
H6 A:5NY303 4.8 28.4 0.0
H9 A:5NY303 4.8 34.8 0.0
CE3 A:TRP215 4.8 27.6 1.0
N7 A:5NY303 4.8 45.2 1.0
H18 A:5NY303 4.9 39.1 0.0
CD1 A:TYR99 4.9 39.6 1.0
HE2 A:TYR99 5.0 43.8 1.0

Reference:

D.Meng, P.Andre, T.J.Bateman, R.Berger, Y.H.Chen, K.Desai, S.Dewnani, K.Ellsworth, D.Feng, W.M.Geissler, L.Guo, A.Hruza, T.Jian, H.Li, J.Metzger, D.L.Parker, P.Reichert, E.C.Sherer, C.J.Smith, L.M.Sonatore, R.Tschirret-Guth, J.Wu, J.Xu, T.Zhang, L.C.Campeau, R.Orr, M.Poirier, J.Mccabe-Dunn, K.Araki, T.Nishimura, I.Sakurada, T.Hirabayashi, H.B.Wood. Development of A Novel Tricyclic Class of Potent and Selective Fixa Inhibitors. Bioorg.Med.Chem.Lett. V. 25 5437 2015.
ISSN: ESSN 1464-3405
PubMed: 26318999
DOI: 10.1016/J.BMCL.2015.07.078
Page generated: Sat Jul 12 01:41:20 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