Atomistry » Chlorine » PDB 5ti4-5tr9 » 5tno
Atomistry »
  Chlorine »
    PDB 5ti4-5tr9 »
      5tno »

Chlorine in PDB 5tno: Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors

Enzymatic activity of Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors

All present enzymatic activity of Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors:
3.4.21.22;

Protein crystallography data

The structure of Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors, PDB code: 5tno was solved by I.Sakurada, T.Endo, K.Hikita, T.Hirabayashi, Y.Hosaka, Y.Kato, Y.Maeda, S.Matsumoto, T.Mizuno, H.Nagasue, T.Nishimura, S.Shimada, M.Shinozaki, K.Taguchi, K.Takeuchi, T.Yokoyama, A.Hruza, P.Reichert, T.Zhang, H.B.Wood, K.Nakao, S.Furusako, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.55 / 1.54
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 98.835, 98.835, 94.252, 90.00, 90.00, 120.00
R / Rfree (%) 14.5 / 15.8

Other elements in 5tno:

The structure of Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors (pdb code 5tno). 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 Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors, PDB code: 5tno:

Chlorine binding site 1 out of 1 in 5tno

Go back to Chlorine Binding Sites List in 5tno
Chlorine binding site 1 out of 1 in the Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:55.7
occ:1.00
CL A:UNL301 0.0 55.7 1.0
C16 A:UNL301 1.7 45.3 1.0
C15 A:UNL301 2.7 42.3 1.0
C11 A:UNL301 2.7 44.0 1.0
H11 A:UNL301 2.8 39.1 1.0
H6 A:UNL301 2.8 41.1 1.0
HB2 A:TRP215 2.8 27.9 1.0
HH A:TYR99 3.0 49.6 1.0
H18 A:UNL301 3.1 40.2 1.0
N1 A:UNL301 3.1 40.6 1.0
C10 A:UNL301 3.1 44.5 1.0
OH A:TYR99 3.3 50.1 1.0
H A:GLY216 3.5 27.8 1.0
CZ A:TYR99 3.7 47.8 1.0
O A:GLY216 3.7 33.4 1.0
C6 A:UNL301 3.7 39.1 1.0
H10 A:UNL301 3.8 40.4 1.0
CB A:TRP215 3.8 25.6 1.0
HB3 A:TRP215 3.8 26.3 1.0
HE1 A:TYR99 3.9 40.6 1.0
CE1 A:TYR99 3.9 40.7 1.0
C14 A:UNL301 4.0 43.6 1.0
C12 A:UNL301 4.0 45.9 1.0
O A:UNL301 4.0 44.7 1.0
C7 A:UNL301 4.1 39.3 1.0
HE3 A:TRP215 4.2 28.8 1.0
HA A:TRP215 4.2 23.8 1.0
C8 A:UNL301 4.2 39.4 1.0
H5 A:UNL301 4.3 29.3 1.0
N A:UNL301 4.3 32.7 1.0
CE2 A:TYR99 4.4 44.2 1.0
N A:GLY216 4.5 27.4 1.0
C13 A:UNL301 4.5 45.6 1.0
H12 A:UNL301 4.5 39.5 1.0
C5 A:UNL301 4.6 27.5 1.0
CA A:TRP215 4.6 24.7 1.0
C4 A:UNL301 4.6 28.5 1.0
HE2 A:TYR99 4.7 45.0 1.0
CG A:TRP215 4.8 26.9 1.0
C9 A:UNL301 4.8 36.8 1.0
C A:GLY216 4.9 33.6 1.0
CD1 A:TYR99 4.9 40.8 1.0
H3 A:UNL301 4.9 46.7 1.0
CE3 A:TRP215 4.9 29.1 1.0

Reference:

I.Sakurada, T.Endo, K.Hikita, T.Hirabayashi, Y.Hosaka, Y.Kato, Y.Maeda, S.Matsumoto, T.Mizuno, H.Nagasue, T.Nishimura, S.Shimada, M.Shinozaki, K.Taguchi, K.Takeuchi, T.Yokoyama, A.Hruza, P.Reichert, T.Zhang, H.B.Wood, K.Nakao, S.Furusako. Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors. Bioorg. Med. Chem. Lett. V. 27 2622 2017.
ISSN: ESSN 1464-3405
PubMed: 28408226
DOI: 10.1016/J.BMCL.2017.03.002
Page generated: Sat Jul 12 08:59:54 2025

Last articles

Cl in 8C4N
Cl in 8C4O
Cl in 8C4D
Cl in 8C4M
Cl in 8C4J
Cl in 8BZL
Cl in 8C3L
Cl in 8C2F
Cl in 8C25
Cl in 8C3F
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy