Sodium in PDB 3jy9: Janus Kinase 2 Inhibitors

All present enzymatic activity of Janus Kinase 2 Inhibitors:
2.7.10.2;

The structure of Janus Kinase 2 Inhibitors, PDB code: 3jy9 was solved by H.J.Zuccola, M.W.Ledeboer, A.C.Pierce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	95.103, 101.257, 68.488, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 27.1

The binding sites of Sodium atom in the Janus Kinase 2 Inhibitors (pdb code 3jy9). 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 Janus Kinase 2 Inhibitors, PDB code: 3jy9:

Sodium binding site 1 out of 1 in the Janus Kinase 2 Inhibitors


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Janus Kinase 2 Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1131 b:53.8 occ:1.00 CE A:LYS926 3.8 37.5 1.0 OE2 A:GLU864 3.8 39.3 1.0 OE1 A:GLU846 3.9 49.2 1.0 O A:HOH157 4.3 43.3 1.0 CD1 A:LEU849 4.4 25.8 1.0 O A:LEU849 4.5 34.0 1.0 SG A:CYS866 4.6 27.9 1.0 CB A:LEU849 4.6 31.8 1.0 CD A:LYS926 4.7 30.5 1.0 CD A:GLU864 4.9 36.4 1.0 NZ A:LYS926 4.9 40.4 1.0

T.Wang, J.P.Duffy, J.Wang, S.Halas, F.G.Salituro, A.C.Pierce, H.J.Zuccola, J.R.Black, J.K.Hogan, S.Jepson, D.Shlyakter, S.Mahajan, Y.Gu, T.Hoock, M.Wood, B.F.Furey, J.D.Frantz, L.M.Dauffenbach, U.A.Germann, B.Fan, M.Namchuk, Y.L.Bennani, M.W.Ledeboer. Janus Kinase 2 Inhibitors. Synthesis and Characterization of A Novel Polycyclic Azaindole. J.Med.Chem. V. 52 7938 2009.
ISSN: ISSN 0022-2623
PubMed: 20014869
DOI: 10.1021/JM901383U