Sodium in PDB 5htb: Crystal Structure of Haspin (GSG2) in Complex with Bisubstrate Inhibitor Arc-3353

All present enzymatic activity of Crystal Structure of Haspin (GSG2) in Complex with Bisubstrate Inhibitor Arc-3353:
2.7.11.1;

The structure of Crystal Structure of Haspin (GSG2) in Complex with Bisubstrate Inhibitor Arc-3353, PDB code: 5htb was solved by A.Chaikuad, C.Heroven, D.Lavogina, K.Kestav, A.Uri, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.91 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.790, 78.890, 81.750, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 18.1

The binding sites of Sodium atom in the Crystal Structure of Haspin (GSG2) in Complex with Bisubstrate Inhibitor Arc-3353 (pdb code 5htb). 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 Haspin (GSG2) in Complex with Bisubstrate Inhibitor Arc-3353, PDB code: 5htb:

Sodium binding site 1 out of 1 in the Crystal Structure of Haspin (GSG2) in Complex with Bisubstrate Inhibitor Arc-3353


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 Haspin (GSG2) in Complex with Bisubstrate Inhibitor Arc-3353 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na802 b:22.6 occ:1.00 O A:HOH1138 2.1 35.0 1.0 O A:HOH907 2.2 33.6 1.0 O A:HOH1116 2.3 22.0 1.0 O A:PHE556 2.3 16.2 1.0 O A:GLU554 2.5 15.8 1.0 OE2 A:GLU606 3.2 27.1 1.0 C A:GLU554 3.4 15.4 1.0 C A:PHE556 3.5 12.8 1.0 N A:GLY558 3.8 13.0 1.0 CA A:GLU554 4.0 16.3 1.0 O A:HOH931 4.0 37.3 1.0 CA A:ILE557 4.1 12.7 1.0 C A:ILE557 4.1 12.8 1.0 O A:HOH911 4.1 42.6 1.0 CB A:GLU554 4.2 19.3 1.0 N A:PHE556 4.2 11.7 1.0 CD A:GLU606 4.2 26.3 1.0 N A:ILE557 4.2 12.8 1.0 O A:HOH1035 4.4 13.2 1.0 OE1 A:GLU606 4.4 31.5 1.0 O A:HOH1062 4.4 19.0 1.0 N A:GLY555 4.5 13.9 1.0 CA A:PHE556 4.5 11.8 1.0 CA A:GLY558 4.5 13.7 1.0 C A:GLY555 4.6 12.8 1.0 OG A:SER684 4.7 15.2 1.0 NE2 A:GLN682 4.7 21.2 0.5 O A:ILE557 4.9 13.2 1.0 CA A:GLY555 4.9 13.4 1.0

D.Lavogina, K.Kestav, A.Chaikuad, C.Heroven, S.Knapp, A.Uri. Co-Crystal Structures of the Protein Kinase Haspin with Bisubstrate Inhibitors. Acta Crystallogr.,Sect.F V. 72 339 2016.
ISSN: ESSN 2053-230X
PubMed: 27139824
DOI: 10.1107/S2053230X16004611