Sodium in PDB 3zls: Crystal Structure of MEK1 in Complex with Fragment 6

All present enzymatic activity of Crystal Structure of MEK1 in Complex with Fragment 6:
2.7.12.2;

The structure of Crystal Structure of MEK1 in Complex with Fragment 6, PDB code: 3zls was solved by K.Amaning, M.Lowinsky, F.Vallee, V.Steier, C.Marcireau, A.Ugolini, C.Delorme, G.Mccort, C.Andouche, S.Vougier, S.Llopart, N.Halland, A.Rak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.91 / 2.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	76.683, 76.683, 221.983, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 23.37

The binding sites of Sodium atom in the Crystal Structure of MEK1 in Complex with Fragment 6 (pdb code 3zls). 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 Crystal Structure of MEK1 in Complex with Fragment 6, PDB code: 3zls:

Sodium binding site 1 out of 1 in the Crystal Structure of MEK1 in Complex with Fragment 6


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of MEK1 in Complex with Fragment 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1384 b:39.0 occ:1.00 OD1 A:ASN78 2.2 64.5 1.0 O A:HOH2008 2.3 41.8 1.0 OD1 A:ASN195 2.3 44.0 1.0 OD2 A:ASP208 2.4 66.1 1.0 O A:HOH2006 3.1 67.8 1.0 CG A:ASN78 3.4 77.2 1.0 CG A:ASP208 3.4 59.0 1.0 CG A:ASN195 3.5 50.1 1.0 CB A:ASP208 3.8 47.4 1.0 CB A:ASN78 4.0 72.4 1.0 O A:SER194 4.1 40.9 1.0 ND2 A:ASN195 4.2 36.9 1.0 OG A:SER194 4.4 49.5 1.0 C13 A:92P1383 4.4 44.8 1.0 ND2 A:ASN78 4.5 62.2 1.0 OD1 A:ASP208 4.5 59.1 1.0 N A:ASN78 4.6 75.3 1.0 C A:SER194 4.6 38.8 1.0 O A:HOH2061 4.7 65.2 1.0 CB A:ASN195 4.7 27.9 1.0 SG A:CYS207 4.7 44.0 1.0 CA A:ASN195 4.7 30.9 1.0 C A:GLY77 4.7 79.9 1.0 O11 A:92P1383 4.8 47.7 1.0 O A:HOH2005 4.9 45.9 1.0 CA A:ASN78 4.9 74.1 1.0 N A:ASN195 4.9 32.7 1.0 CA A:GLY77 5.0 75.8 1.0

K.Amaning, M.Lowinski, F.Vallee, V.Steier, C.Marcireau, A.Ugolini, C.Delorme, F.Foucalt, G.Mccort, N.Derimay, C.Andouche, S.Vougier, S.Llopart, N.Halland, A.Rak. The Use of Virtual Screening and Differential Scanning Fluorimetry For the Rapid Identification of Fragments Active Against MEK1. Bioorg.Med.Chem.Lett. V. 23 3620 2013.
ISSN: ISSN 0960-894X
PubMed: 23648182
DOI: 10.1016/J.BMCL.2013.04.003