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Sodium in PDB 4zae: Development of A Novel Class of Potent and Selective Fixa Inhibitors

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

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

Protein crystallography data

The structure of Development of A Novel Class of Potent and Selective Fixa Inhibitors, PDB code: 4zae was solved by A.Hruza, P.Reichert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.70 / 1.86
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 99.452, 99.452, 94.737, 90.00, 90.00, 120.00
R / Rfree (%) 14.8 / 17.4

Other elements in 4zae:

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

Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Development of A Novel Class of Potent and Selective Fixa Inhibitors (pdb code 4zae). 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 Development of A Novel Class of Potent and Selective Fixa Inhibitors, PDB code: 4zae:

Sodium binding site 1 out of 1 in 4zae

Go back to Sodium Binding Sites List in 4zae
Sodium binding site 1 out of 1 in the Development of A Novel Class of Potent and Selective Fixa Inhibitors


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Development of A Novel Class of Potent and Selective Fixa Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na302

b:25.9
occ:1.00
OE1 A:GLU70 2.2 24.9 1.0
O A:GLU75 2.2 38.5 1.0
O A:ASN72 2.4 27.7 1.0
OE2 A:GLU80 2.4 35.3 1.0
OE1 A:GLU77 2.4 27.3 1.0
O A:HOH406 2.5 39.0 1.0
H A:ASN72 3.2 20.9 1.0
CD A:GLU70 3.2 28.1 1.0
H A:GLU75 3.4 37.6 1.0
H A:HIS71 3.4 19.0 1.0
C A:ASN72 3.4 27.2 1.0
CD A:GLU77 3.5 58.4 1.0
C A:GLU75 3.5 42.7 1.0
CD A:GLU80 3.5 39.9 1.0
OE2 A:GLU70 3.5 27.4 1.0
HG3 A:GLU77 3.5 50.7 1.0
HG2 A:GLU80 3.6 29.7 1.0
HA A:ILE73 3.7 28.6 1.0
HA A:THR76 3.7 40.0 1.0
H A:GLU77 3.8 40.1 1.0
O A:HOH465 3.9 41.5 1.0
HB3 A:ASN72 3.9 21.8 1.0
N A:ASN72 3.9 19.4 1.0
HB2 A:GLU77 4.0 40.0 1.0
CG A:GLU80 4.0 29.0 1.0
CG A:GLU77 4.0 50.4 1.0
HG3 A:GLU80 4.1 28.2 1.0
HA A:GLU70 4.2 17.7 1.0
CA A:ASN72 4.2 20.8 1.0
N A:GLU75 4.2 37.7 1.0
HB2 A:GLU75 4.2 37.8 1.0
N A:ILE73 4.3 25.8 1.0
N A:GLU77 4.4 40.0 1.0
CA A:GLU75 4.4 37.6 1.0
N A:HIS71 4.4 18.6 1.0
N A:THR76 4.4 42.0 1.0
CA A:ILE73 4.4 28.2 1.0
OE2 A:GLU77 4.5 58.3 1.0
CA A:THR76 4.5 41.6 1.0
CB A:GLU77 4.5 40.2 1.0
OE1 A:GLU80 4.5 30.9 1.0
CG A:GLU70 4.6 23.9 1.0
CB A:ASN72 4.6 21.3 1.0
HB3 A:HIS71 4.6 18.5 1.0
HG3 A:GLU70 4.7 23.3 1.0
C A:ILE73 4.7 36.6 1.0
C A:THR76 4.8 47.0 1.0
CB A:GLU75 4.8 38.7 1.0
C A:HIS71 4.9 21.2 1.0
HG2 A:GLU77 5.0 50.4 1.0

Reference:

T.Zhang, P.Andre, T.J.Bateman, Y.H.Chen, K.Desai, K.Ellsworth, W.M.Geissler, L.Guo, A.Hruza, T.Jian, D.Meng, D.L.Parker, X.Qian, P.Reichert, E.C.Sherer, M.Shu, C.J.Smith, L.M.Sonatore, R.Tschirret-Guth, A.F.Nolting, R.Orr, L.C.Campeau, K.Araki, T.Nishimura, I.Sakurada, H.B.Wood. Development of A Novel Class of Potent and Selective Fixa Inhibitors. Bioorg.Med.Chem.Lett. V. 25 4945 2015.
ISSN: ESSN 1464-3405
PubMed: 25978966
DOI: 10.1016/J.BMCL.2015.04.057
Page generated: Tue Dec 15 10:06:12 2020

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