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Sodium in the structure of Human Thrombin - Inhibitor Complex (pdb 4ayy)

The binding sites of Sodium atom in the structure of Human Thrombin - Inhibitor Complex (pdb code 4ayy). This binding sites where shown with 5.0 Angstroms radius around Sodium atom.
The 4ayy structure was solved by D.W.BANNER, A.D'ARCY, F.K.WINKLER, K.HILPERT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)24.8-2.6
Space groupP43212
a (A)90.800
b (A)90.800
c (A)132.500
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)14.674
Rfree (%)19.663

Sodium Binding Sites:

Sodium binding site 1 out of 1 in 4ayy

Sodium binding site 1 out of 1 in 4ayy
Click to enlarge
stereopicture of Sodium binding site 1 out of 1 in 4ayy
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 4ayy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Tyr190, B: Asp232, B: Arg233, B: Asp234, B: Gly235, B: Lys236, B: Tyr237, B: Hoh2048, B: Hoh2049, B: Hoh2050, B: Hoh2052, B: Hoh2054, B: Hoh2059, B: Hoh2061,

conact list:

AtomAtomDistance (A)
NaO B:Tyr1904.28
NaO B:Asp2324.47
NaN B:Asp2325.00
NaC B:Asp2324.04
NaOD1 B:Asp2324.48
NaCA B:Asp2324.26
NaO B:Arg2332.51
NaN B:Arg2333.99
NaC B:Arg2333.62
NaCA B:Arg2334.42
NaN B:Asp2344.53
NaC B:Asp2344.97
NaCA B:Asp2344.70
NaN B:Gly2354.82
NaO B:Lys2362.38
NaN B:Lys2364.02
NaCB B:Lys2364.44
NaC B:Lys2363.43
NaCA B:Lys2364.14
NaN B:Tyr2374.43
NaCA B:Tyr2374.70
NaO B:Hoh20483.94
NaO B:Hoh20492.43
NaO B:Hoh20503.11
NaO B:Hoh20523.53
NaO B:Hoh20542.23
NaO B:Hoh20594.79
NaO B:Hoh20612.08

interactive model:

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