Sodium in PDB 7agd: Protease SAPP1P From Candida Parapsilosis in Complex with KB75

All present enzymatic activity of Protease SAPP1P From Candida Parapsilosis in Complex with KB75:
3.4.23.24;

The structure of Protease SAPP1P From Candida Parapsilosis in Complex with KB75, PDB code: 7agd was solved by J.Dostal, O.Heidingsfeld, J.Brynda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.42 / 1.80
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	172.62, 172.62, 253.252, 90, 90, 120
R / Rfree (%)	20.1 / 22.3

The binding sites of Sodium atom in the Protease SAPP1P From Candida Parapsilosis in Complex with KB75 (pdb code 7agd). 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 Protease SAPP1P From Candida Parapsilosis in Complex with KB75, PDB code: 7agd:

Sodium binding site 1 out of 1 in the Protease SAPP1P From Candida Parapsilosis in Complex with KB75


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Protease SAPP1P From Candida Parapsilosis in Complex with KB75 within 5.0Å range: probe atom residue distance (Å) B Occ D:Na401 b:47.7 occ:1.00 O3 D:PGE402 2.9 47.4 1.0 O1 D:PGE402 2.9 40.7 1.0 O2 D:PGE402 3.1 47.6 1.0 CB D:SER65 3.7 30.7 1.0 C3 D:PGE402 3.7 48.4 1.0 C6 D:PGE402 3.7 46.5 1.0 C2 D:PGE402 3.8 44.5 1.0 O4 D:PGE402 3.8 44.5 1.0 C1 D:PGE402 3.9 44.5 1.0 C5 D:PGE402 3.9 46.1 1.0 C4 D:PGE402 3.9 47.0 1.0 OG D:SER65 4.7 32.8 1.0 CA D:SER65 4.7 29.4 1.0

J.Dostal, J.Brynda, L.Vankova, S.R.Zia, I.Pichova, O.Heidingsfeld, M.Lepsik. Structural Determinants For Subnanomolar Inhibition of the Secreted Aspartic Protease SAPP1P From Candida Parapsilosis . J Enzyme Inhib Med Chem V. 36 914 2021.
ISSN: ESSN 1475-6374
PubMed: 33843395
DOI: 10.1080/14756366.2021.1906664