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Sodium in the structure of Recruiting Zinc to Mediate Potent, Specific Inhibition of Serine Proteases (pdb 1c1w)

The binding sites of Sodium atom in the structure of Recruiting Zinc to Mediate Potent, Specific Inhibition of Serine Proteases (pdb code 1c1w). This binding sites where shown with 5.0 Angstroms radius around Sodium atom.
The 1c1w structure was solved by B.A.KATZ, C.LUONG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)7.5-1.9
Space groupC121
a (A)71.220
b (A)71.880
c (A)72.650
alpha (°)90.00
beta (°)100.69
gamma (°)90.00
Rfactor (%)20.3
Rfree (%)24.2

Sodium Binding Sites:

Sodium binding site 1 out of 1 in 1c1w

Sodium binding site 1 out of 1 in 1c1w
Click to enlarge
stereopicture of Sodium binding site 1 out of 1 in 1c1w
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 1c1w. 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: H: Gly189, H: Tyr190A, H: Asp227, H: Arg227A, H: Asp228, H: Gly229, H: Lys230, H: Tyr231, H: Hoh422, H: Hoh428, H: Hoh431, H: Hoh435, H: Hoh438, H: Hoh440, H: Hoh452, H: Hoh454,

conact list:

AtomAtomDistance (A)
NaHA3 H:Gly1894.85
NaO H:Tyr190A4.12
NaH H:Tyr190A4.94
NaO H:Asp2274.87
NaHA H:Asp2273.89
NaOD1 H:Asp2274.88
NaC H:Asp2274.39
NaCA H:Asp2274.69
NaHB2 H:Arg227A4.76
NaN H:Arg227A4.14
NaC H:Arg227A3.54
NaCA H:Arg227A4.55
NaO H:Arg227A2.36
NaH H:Arg227A4.11
NaN H:Asp2284.27
NaHA H:Asp2283.21
NaC H:Asp2284.24
NaCA H:Asp2284.01
NaN H:Gly2294.02
NaH H:Gly2293.63
NaC H:Gly2294.62
NaCA H:Gly2294.92
NaHB2 H:Lys2303.64
NaN H:Lys2303.60
NaCB H:Lys2304.33
NaHB3 H:Lys2304.81
NaC H:Lys2303.29
NaCA H:Lys2303.94
NaO H:Lys2302.35
NaHA H:Lys2304.94
NaH H:Lys2302.95
NaN H:Tyr2314.27
NaCD1 H:Tyr2314.76
NaHD1 H:Tyr2314.82
NaCA H:Tyr2314.59
NaHA H:Tyr2313.83
NaCE1 H:Tyr2314.93
NaO H:Hoh4224.50
NaH1 H:Hoh4223.63
NaH2 H:Hoh4224.80
NaO H:Hoh4282.60
NaH1 H:Hoh4282.77
NaH2 H:Hoh4283.09
NaO H:Hoh4312.64
NaH1 H:Hoh4313.08
NaH2 H:Hoh4313.00
NaO H:Hoh4354.79
NaH1 H:Hoh4354.26
NaO H:Hoh4383.98
NaH1 H:Hoh4384.53
NaH2 H:Hoh4383.48
NaO H:Hoh4403.94
NaH1 H:Hoh4404.58
NaH2 H:Hoh4404.71
NaO H:Hoh4522.49
NaH1 H:Hoh4522.90
NaH2 H:Hoh4523.22
NaO H:Hoh4542.51
NaH1 H:Hoh4542.95
NaH2 H:Hoh4543.39

interactive model:

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