Sodium in PDB 8kme: Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2770.

All present enzymatic activity of Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2770.:
3.4.21.5;

The structure of Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2770., PDB code: 8kme was solved by I.Mochalkin, A.Tulinsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.660, 72.000, 73.450, 90.00, 101.20, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Sodium atom in the Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2770. (pdb code 8kme). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2770., PDB code: 8kme:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2770.


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 Human Alpha-Thrombin Inhibited with SEL2770. within 5.0Å range: probe atom residue distance (Å) B Occ 2:Na950 b:27.6 occ:0.77 O 2:HOH465 2.4 35.7 1.0 O 2:THR172 2.4 31.1 1.0 O 2:LYS169 2.4 29.7 1.0 O 2:HOH463 3.0 35.9 0.9 C 2:LYS169 3.4 28.9 1.0 C 2:THR172 3.7 30.8 1.0 CA 2:ASP170 4.0 28.4 1.0 N 2:ASP170 4.0 28.2 1.0 OD1 2:ASP170 4.4 24.2 1.0 CA 2:ARG173 4.4 33.2 1.0 N 2:THR172 4.4 29.6 1.0 CA 2:LYS169 4.5 30.1 1.0 N 2:ARG173 4.5 31.9 1.0 C 2:ASP170 4.5 28.5 1.0 CA 2:THR172 4.7 30.0 1.0 N 2:SER171 4.7 29.2 1.0 CB 2:LYS169 4.9 32.9 1.0 CG2 2:THR172 4.9 23.9 1.0 C 2:ARG173 5.0 33.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2770.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2770. within 5.0Å range: probe atom residue distance (Å) B Occ 2:Na951 b:27.2 occ:0.79 O 2:LYS224 2.3 32.4 1.0 O 2:HOH570 2.4 26.8 1.0 O 2:ARG221A 2.5 40.9 1.0 O 2:HOH462 2.5 32.7 1.0 O 2:HOH440 2.6 39.1 1.0 O 2:TYR184A 3.3 37.4 1.0 C 2:LYS224 3.5 32.3 1.0 C 2:ARG221A 3.7 40.7 1.0 N 2:LYS224 3.8 35.7 1.0 O 2:HOH444 3.9 21.8 1.0 N 2:GLY223 4.0 39.4 1.0 CA 2:ASP222 4.2 40.8 1.0 CA 2:LYS224 4.2 33.6 1.0 N 2:ASP222 4.3 40.6 1.0 N 2:ARG221A 4.4 39.7 1.0 C 2:TYR184A 4.5 37.7 1.0 C 2:ASP222 4.5 40.6 1.0 N 2:TYR225 4.6 30.5 1.0 C 2:ASP221 4.6 39.1 1.0 CA 2:ARG221A 4.7 40.2 1.0 C 2:GLY223 4.8 36.9 1.0 CA 2:ASP221 4.8 38.3 1.0 CA 2:GLY223 4.9 37.5 1.0 CA 2:TYR225 4.9 27.8 1.0 CB 2:LYS224 4.9 34.2 1.0

I.Mochalkin, A.Tulinsky. Structures of Thrombin Retro-Inhibited with SEL2711 and SEL2770 As They Relate to Factor Xa Binding. Acta Crystallogr.,Sect.D V. 55 785 1999.
ISSN: ISSN 0907-4449
PubMed: 10089309
DOI: 10.1107/S0907444999000359