Sodium in PDB 5jmo: X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14

All present enzymatic activity of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14:
3.4.21.75;

The structure of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14, PDB code: 5jmo was solved by S.O.Dahms, M.E.Than, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.38 / 2.00
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	169.775, 50.039, 144.244, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.7

The structure of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14 also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Sodium atom in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14 (pdb code 5jmo). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14, PDB code: 5jmo:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na606 b:15.4 occ:1.00 O A:SER311 2.3 12.8 1.0 O A:HOH765 2.4 14.4 1.0 O A:THR309 2.4 16.9 1.0 O A:THR314 2.4 11.6 1.0 OG1 A:THR314 2.4 10.9 1.0 C A:THR314 3.2 12.8 1.0 C A:THR309 3.4 16.0 1.0 C A:SER311 3.5 15.2 1.0 CB A:THR314 3.6 12.2 1.0 CA A:THR314 3.7 10.1 1.0 O A:HOH875 3.7 21.3 1.0 N A:SER316 3.9 13.5 1.0 CB A:SER316 3.9 17.1 1.0 N A:SER311 3.9 14.5 1.0 N A:THR314 3.9 11.7 1.0 CE A:MET534 4.1 11.8 1.0 CA A:SER311 4.1 14.5 1.0 O A:TYR308 4.1 16.1 1.0 C A:ASN310 4.2 18.8 1.0 N A:LEU315 4.2 13.7 1.0 CA A:THR309 4.2 18.1 1.0 N A:ASN310 4.3 16.2 1.0 CA A:SER316 4.5 13.4 1.0 C A:LEU315 4.5 15.8 1.0 CA A:LEU315 4.5 15.9 1.0 O A:SER335 4.5 16.6 1.0 N A:ILE312 4.6 13.7 1.0 CA A:ASN310 4.6 17.2 1.0 CB A:SER311 4.6 14.2 1.0 O A:ASN310 4.7 16.5 1.0 CG2 A:THR314 4.7 13.8 1.0 CA A:ILE312 4.8 14.7 1.0 C A:ILE312 4.8 13.3 1.0

Sodium binding site 2 out of 2 in the X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of X-Ray Structure of Furin in Complex with the Inhibitory Antibody NB14 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na606 b:18.3 occ:1.00 O B:SER311 2.3 13.6 1.0 O B:THR314 2.4 10.7 1.0 O B:THR309 2.4 16.2 1.0 OG1 B:THR314 2.4 13.2 1.0 O B:HOH811 2.4 11.8 1.0 C B:THR314 3.2 13.0 1.0 C B:SER311 3.5 14.8 1.0 C B:THR309 3.5 16.6 1.0 CB B:THR314 3.6 14.8 1.0 O B:HOH899 3.6 16.5 1.0 CA B:THR314 3.7 11.2 1.0 N B:SER311 3.8 16.7 1.0 N B:THR314 3.9 11.6 1.0 N B:SER316 3.9 13.6 1.0 CB B:SER316 4.0 16.2 1.0 CE B:MET534 4.1 14.7 1.0 C B:ASN310 4.1 18.7 1.0 CA B:SER311 4.1 13.6 1.0 O B:TYR308 4.2 15.2 1.0 N B:LEU315 4.2 11.1 1.0 CA B:THR309 4.3 13.8 1.0 N B:ASN310 4.4 16.3 1.0 CA B:LEU315 4.5 13.6 1.0 O B:SER335 4.5 15.4 1.0 C B:LEU315 4.5 16.7 1.0 CA B:SER316 4.5 16.9 1.0 N B:ILE312 4.5 12.7 1.0 O B:ASN310 4.6 19.8 1.0 CB B:SER311 4.6 12.2 1.0 CA B:ASN310 4.7 16.9 1.0 CA B:ILE312 4.7 13.4 1.0 CG2 B:THR314 4.8 10.9 1.0 C B:ILE312 4.8 13.5 1.0

S.O.Dahms, J.W.Creemers, Y.Schaub, G.P.Bourenkov, T.Zogg, H.Brandstetter, M.E.Than. The Structure of A Furin-Antibody Complex Explains Non-Competitive Inhibition By Steric Exclusion of Substrate Conformers. Sci Rep V. 6 34303 2016.
ISSN: ESSN 2045-2322
PubMed: 27670069
DOI: 10.1038/SREP34303