Sodium in PDB 6tkl: Non-Cleavable Tsetse Thrombin Inhibitor in Complex with Human Alpha- Thrombin

All present enzymatic activity of Non-Cleavable Tsetse Thrombin Inhibitor in Complex with Human Alpha- Thrombin:
3.4.21.5;

The structure of Non-Cleavable Tsetse Thrombin Inhibitor in Complex with Human Alpha- Thrombin, PDB code: 6tkl was solved by B.M.Calisto, J.Ripoll-Rozada, D.De Sanctis, P.J.B.Pereira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.14 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.928, 81.309, 86.284, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 17.6

The binding sites of Sodium atom in the Non-Cleavable Tsetse Thrombin Inhibitor in Complex with Human Alpha- Thrombin (pdb code 6tkl). 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 Non-Cleavable Tsetse Thrombin Inhibitor in Complex with Human Alpha- Thrombin, PDB code: 6tkl:

Sodium binding site 1 out of 1 in the Non-Cleavable Tsetse Thrombin Inhibitor in Complex with Human Alpha- Thrombin


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Non-Cleavable Tsetse Thrombin Inhibitor in Complex with Human Alpha- Thrombin within 5.0Å range: probe atom residue distance (Å) B Occ H:Na602 b:21.6 occ:1.00 O H:ARG553 2.3 19.2 1.0 O H:HOH771 2.4 22.9 1.0 O H:HOH848 2.4 23.2 1.0 O H:LYS556 2.4 19.6 1.0 O H:HOH773 2.4 19.8 1.0 O H:HOH794 2.8 24.0 1.0 C H:ARG553 3.4 18.4 1.0 C H:LYS556 3.5 18.2 1.0 N H:ARG553 3.9 19.1 1.0 O H:HOH802 3.9 20.8 1.0 N H:LYS556 3.9 18.4 1.0 O H:HOH729 4.0 25.3 1.0 C H:ASP552 4.1 18.1 1.0 O H:TYR510 4.1 19.9 1.0 CA H:LYS556 4.2 17.2 1.0 O H:HOH797 4.2 19.4 1.0 N H:ASP554 4.2 21.6 1.0 CA H:ARG553 4.2 18.1 1.0 N H:GLY555 4.3 20.4 1.0 CA H:ASP554 4.3 21.1 1.0 CA H:ASP552 4.4 19.2 1.0 N H:TYR557 4.5 17.2 1.0 C H:ASP554 4.5 20.9 1.0 O H:ASP552 4.6 20.5 1.0 CB H:LYS556 4.6 19.8 1.0 OD1 H:ASP552 4.6 22.6 1.0 O H:HOH752 4.7 21.8 1.0 CA H:TYR557 4.8 16.7 1.0 C H:GLY555 4.9 19.0 1.0

B.M.Calisto, J.Ripoll-Rozada, L.J.Dowman, C.Franck, S.M.Agten, B.L.Parker, R.C.Veloso, N.Vale, P.Gomes, D.De Sanctis, R.J.Payne, P.J.B.Pereira. Sulfotyrosine-Mediated Recognition of Human Thrombin By A Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol 2020.
ISSN: ESSN 2451-9456
PubMed: 33096052
DOI: 10.1016/J.CHEMBIOL.2020.10.002