Sodium in PDB 7kme: Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2711.

All present enzymatic activity of Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2711.:
3.4.21.5;

The structure of Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2711., PDB code: 7kme 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 (°)	71.050, 71.820, 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 SEL2711. (pdb code 7kme). 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 SEL2711., PDB code: 7kme:
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 SEL2711.


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 SEL2711. within 5.0Å range: probe atom residue distance (Å) B Occ H:Na950 b:22.6 occ:1.00 O H:THR172 2.6 20.0 1.0 O H:HOH493 2.7 22.8 1.0 O H:HOH495 2.7 27.8 0.9 O H:LYS169 2.7 25.1 1.0 C H:LYS169 3.8 25.4 1.0 C H:THR172 3.8 20.8 1.0 CA H:ARG173 4.3 23.5 1.0 CA H:ASP170 4.5 23.4 1.0 N H:ARG173 4.5 21.8 1.0 N H:ASP170 4.5 24.1 1.0 O H:ILE174 4.5 21.2 1.0 C H:ARG173 4.6 23.6 1.0 CA H:LYS169 4.7 26.5 1.0 OD1 H:ASP170 4.8 19.0 1.0 O H:ARG173 4.8 23.4 1.0 N H:THR172 4.8 20.1 1.0 CB H:LYS169 4.9 29.6 1.0 CA H:THR172 4.9 19.8 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human Alpha-Thrombin Inhibited with SEL2711.


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 SEL2711. within 5.0Å range: probe atom residue distance (Å) B Occ H:Na951 b:23.5 occ:0.90 O H:HOH492 2.4 22.4 1.0 O H:HOH548 2.5 29.4 0.8 O H:LYS224 2.5 23.7 1.0 O H:HOH522 2.6 28.1 1.0 O H:ARG221A 2.6 25.3 1.0 O H:HOH531 2.7 24.8 0.8 C H:ARG221A 3.5 24.6 1.0 C H:LYS224 3.7 24.0 1.0 O H:HOH494 3.8 27.3 0.9 O H:HOH463 3.8 30.4 1.0 N H:LYS224 3.8 24.7 1.0 O H:HOH458 3.9 29.4 1.0 N H:ARG221A 4.0 24.8 1.0 O H:TYR184A 4.0 25.6 1.0 C H:ASP221 4.1 24.4 1.0 CA H:ASP222 4.1 26.2 1.0 N H:ASP222 4.2 25.7 1.0 OD1 H:ASP221 4.2 27.5 1.0 CA H:LYS224 4.3 24.8 1.0 N H:GLY223 4.3 25.3 1.0 CA H:ASP221 4.4 23.3 1.0 CA H:ARG221A 4.4 25.1 1.0 C H:ASP222 4.5 25.7 1.0 O H:ASP221 4.5 25.1 1.0 O H:HOH405 4.7 32.6 1.0 N H:TYR225 4.8 23.1 1.0 C H:GLY223 4.9 25.2 1.0 CB H:LYS224 5.0 27.0 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