Sodium in PDB 4ayy: Human Thrombin - Inhibitor Complex

All present enzymatic activity of Human Thrombin - Inhibitor Complex:
3.4.21.5;

The structure of Human Thrombin - Inhibitor Complex, PDB code: 4ayy was solved by D.W.Banner, A.D'arcy, F.K.Winkler, K.Hilpert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.75 / 2.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	90.800, 90.800, 132.500, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 19.7

The binding sites of Sodium atom in the Human Thrombin - Inhibitor Complex (pdb code 4ayy). 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 Human Thrombin - Inhibitor Complex, PDB code: 4ayy:

Sodium binding site 1 out of 1 in the Human Thrombin - Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Thrombin - Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1260 b:36.5 occ:1.00 O B:HOH2061 2.1 37.1 1.0 O B:HOH2054 2.2 32.2 1.0 O B:LYS236 2.4 32.0 1.0 O B:HOH2049 2.4 35.8 1.0 O B:ARG233 2.5 42.2 1.0 O B:HOH2050 3.1 49.8 1.0 C B:LYS236 3.4 35.2 1.0 O B:HOH2052 3.5 41.9 1.0 C B:ARG233 3.6 38.4 1.0 O B:HOH2048 3.9 18.6 1.0 N B:ARG233 4.0 32.6 1.0 N B:LYS236 4.0 39.7 1.0 C B:ASP232 4.0 33.8 1.0 CA B:LYS236 4.1 37.5 1.0 CA B:ASP232 4.3 33.4 1.0 O B:TYR190 4.3 38.0 1.0 CA B:ARG233 4.4 35.3 1.0 N B:TYR237 4.4 33.9 1.0 CB B:LYS236 4.4 39.6 1.0 O B:ASP232 4.5 33.8 1.0 OD1 B:ASP232 4.5 36.1 1.0 N B:ASP234 4.5 40.0 1.0 CA B:TYR237 4.7 33.4 1.0 CA B:ASP234 4.7 40.0 1.0 O B:HOH2059 4.8 40.4 1.0 N B:GLY235 4.8 39.0 1.0 C B:ASP234 5.0 39.3 1.0 N B:ASP232 5.0 33.1 1.0

K.Hilpert, J.Ackermann, D.W.Banner, A.Gast, K.Gubernator, P.Hadvary, L.Labler, K.Muller, G.Schmid, T.B.Tschopp. Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem. V. 37 3889 1994.
ISSN: ISSN 0022-2623
PubMed: 7966150
DOI: 10.1021/JM00049A008