Sodium in PDB 7phx: Tsetse Thrombin Inhibitor in Complex with Human Alpha-Thrombin - Acid- Stable Sulfotyrosine Analogue

The structure of Tsetse Thrombin Inhibitor in Complex with Human Alpha-Thrombin - Acid- Stable Sulfotyrosine Analogue, PDB code: 7phx was solved by P.J.B.Pereira, J.Ripoll-Rozada, B.M.Calisto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.95 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.7, 80.788, 85.891, 90, 90, 90
R / Rfree (%)	18.3 / 22.1

The binding sites of Sodium atom in the Tsetse Thrombin Inhibitor in Complex with Human Alpha-Thrombin - Acid- Stable Sulfotyrosine Analogue (pdb code 7phx). 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 Tsetse Thrombin Inhibitor in Complex with Human Alpha-Thrombin - Acid- Stable Sulfotyrosine Analogue, PDB code: 7phx:

Sodium binding site 1 out of 1 in the Tsetse Thrombin Inhibitor in Complex with Human Alpha-Thrombin - Acid- Stable Sulfotyrosine Analogue


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Tsetse Thrombin Inhibitor in Complex with Human Alpha-Thrombin - Acid- Stable Sulfotyrosine Analogue within 5.0Å range: probe atom residue distance (Å) B Occ H:Na602 b:43.5 occ:1.00 O H:ARG553 2.3 36.6 1.0 O H:HOH793 2.3 42.9 1.0 O H:HOH743 2.5 32.4 1.0 O H:HOH747 2.5 42.8 1.0 O H:LYS556 2.5 38.3 1.0 O H:HOH741 2.8 38.8 1.0 C H:ARG553 3.3 39.5 1.0 C H:LYS556 3.6 35.8 1.0 N H:ARG553 3.9 36.0 1.0 N H:LYS556 3.9 44.5 1.0 O H:TYR510 4.0 35.1 1.0 O H:HOH735 4.0 42.4 1.0 O H:HOH750 4.0 32.2 1.0 N H:ASP554 4.1 39.0 1.0 C H:ASP552 4.1 44.6 1.0 CA H:ARG553 4.2 39.9 1.0 O H:HOH718 4.2 34.6 1.0 CA H:ASP554 4.2 45.2 1.0 CA H:LYS556 4.2 38.9 1.0 N H:GLY555 4.3 46.8 1.0 CA H:ASP552 4.4 39.9 1.0 C H:ASP554 4.5 53.3 1.0 N H:TYR557 4.6 40.3 1.0 CB H:LYS556 4.6 34.8 1.0 O H:ASP552 4.7 44.1 1.0 O H:HOH738 4.7 39.4 1.0 OD1 H:ASP552 4.8 41.0 1.0 CA H:TYR557 4.8 36.9 1.0 C H:GLY555 5.0 51.0 1.0 CD1 H:TYR557 5.0 34.8 1.0

L.J.Dowman, S.Agten, J.Ripoll-Rozada, B.M.Calisto, P.J.B.Pereira, R.J.Payne. Synthesis and Evaluation of Peptidic Thrombin Inhibitors Bearing Acid-Stable Sulfotyrosine Analogues Chem.Commun.(Camb.) 2021.
ISSN: ESSN 1364-548X
DOI: 10.1039/D1CC04742F