Atomistry » Sodium » PDB 5tde-5txi » 5tno
Atomistry »
  Sodium »
    PDB 5tde-5txi »
      5tno »

Sodium 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:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium 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 Sodium atom.
In total only one binding site of Sodium was determined in the Discovery of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors, PDB code: 5tno:

Sodium binding site 1 out of 1 in 5tno

Go back to Sodium Binding Sites List in 5tno
Sodium 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 Sodium with other atoms in the Na 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:Na302

b:27.5
occ:1.00
O A:GLU75 2.2 34.3 1.0
OE1 A:GLU70 2.2 24.2 1.0
O A:ASN72 2.3 27.5 1.0
OE2 A:GLU80 2.5 35.9 1.0
OE1 A:GLU77 2.5 28.9 1.0
O A:HOH403 2.6 39.8 1.0
HG3 A:GLU77 3.1 55.1 1.0
H A:GLU77 3.1 41.9 1.0
CD A:GLU70 3.2 24.1 1.0
H A:ASN72 3.2 23.9 1.0
C A:ASN72 3.3 27.0 1.0
CD A:GLU77 3.4 65.3 1.0
H A:HIS71 3.4 22.0 1.0
OE2 A:GLU70 3.4 28.5 1.0
C A:GLU75 3.4 40.2 1.0
CD A:GLU80 3.5 34.0 1.0
H A:GLU75 3.5 34.8 1.0
HA A:ILE73 3.6 29.1 1.0
HG2 A:GLU80 3.6 24.9 1.0
CG A:GLU77 3.6 54.7 1.0
HA A:THR76 3.8 41.9 1.0
HB2 A:GLU77 3.8 42.5 1.0
HB3 A:ASN72 3.9 25.7 1.0
N A:ASN72 3.9 21.3 1.0
N A:GLU77 3.9 42.4 1.0
HB2 A:GLU75 4.0 36.7 1.0
O A:HOH421 4.0 39.9 1.0
CG A:GLU80 4.0 25.3 1.0
CA A:ASN72 4.2 22.4 1.0
HA A:GLU70 4.2 19.7 1.0
HG3 A:GLU80 4.2 24.3 1.0
CB A:GLU77 4.2 43.6 1.0
N A:ILE73 4.2 26.9 1.0
N A:GLU75 4.3 34.8 1.0
CA A:GLU75 4.3 35.6 1.0
CA A:ILE73 4.3 28.2 1.0
N A:THR76 4.4 42.0 1.0
N A:HIS71 4.4 20.2 1.0
CA A:THR76 4.4 43.8 1.0
OE2 A:GLU77 4.5 56.9 1.0
CG A:GLU70 4.5 24.4 1.0
OE1 A:GLU80 4.6 40.5 1.0
CB A:ASN72 4.6 24.0 1.0
HG2 A:GLU77 4.6 55.1 1.0
HG3 A:GLU70 4.6 24.9 1.0
CB A:GLU75 4.6 37.0 1.0
C A:THR76 4.6 48.5 1.0
C A:ILE73 4.7 35.6 1.0
O A:HOH456 4.7 64.9 1.0
CA A:GLU77 4.7 41.1 1.0
HB3 A:HIS71 4.8 16.9 1.0
C A:HIS71 4.9 23.1 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: Tue Dec 15 11:37:56 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy