Sodium in PDB 1xui: Trypsin-Keto-Babim, Zn+2-Free, pH 8.2

All present enzymatic activity of Trypsin-Keto-Babim, Zn+2-Free, pH 8.2:
3.4.21.4;

The structure of Trypsin-Keto-Babim, Zn+2-Free, pH 8.2, PDB code: 1xui was solved by B.A.Katz, J.M.Clark, J.S.Finer-Moore, T.E.Jenkins, C.R.Johnson, M.J.Rose, C.Luong, W.R.Moore, R.M.Stroud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.960, 54.960, 109.120, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 22.3

The structure of Trypsin-Keto-Babim, Zn+2-Free, pH 8.2 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Sodium atom in the Trypsin-Keto-Babim, Zn+2-Free, pH 8.2 (pdb code 1xui). 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 Trypsin-Keto-Babim, Zn+2-Free, pH 8.2, PDB code: 1xui:

Sodium binding site 1 out of 1 in the Trypsin-Keto-Babim, Zn+2-Free, pH 8.2


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Trypsin-Keto-Babim, Zn+2-Free, pH 8.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na487 b:59.4 occ:1.00 H2 A:HOH489 3.4 0.0 1.0 O A:HOH489 3.5 49.8 0.9 H2 A:HOH488 4.0 0.0 1.0 H1 A:HOH488 4.1 0.0 1.0 H1 A:HOH489 4.4 0.0 1.0 O A:HOH488 4.4 56.5 1.0

B.A.Katz, J.M.Clark, J.S.Finer-Moore, T.E.Jenkins, C.R.Johnson, M.J.Ross, C.Luong, W.R.Moore, R.M.Stroud. Design of Potent Selective Zinc-Mediated Serine Protease Inhibitors. Nature V. 391 608 1998.
ISSN: ISSN 0028-0836
PubMed: 9468142
DOI: 10.1038/35422