Sodium in PDB 6ube: Azide-Triggered Subtilisin SUBT_BACAM Complexed with the Peptide Lfral

The structure of Azide-Triggered Subtilisin SUBT_BACAM Complexed with the Peptide Lfral, PDB code: 6ube was solved by E.A.Toth, P.N.Bryan, J.Orban, D.T.Gallagher, G.Custer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.73 / 1.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.646, 58.646, 125.670, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 15.8

The binding sites of Sodium atom in the Azide-Triggered Subtilisin SUBT_BACAM Complexed with the Peptide Lfral (pdb code 6ube). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Azide-Triggered Subtilisin SUBT_BACAM Complexed with the Peptide Lfral, PDB code: 6ube:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Azide-Triggered Subtilisin SUBT_BACAM Complexed with the Peptide Lfral


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Azide-Triggered Subtilisin SUBT_BACAM Complexed with the Peptide Lfral within 5.0Å range: probe atom residue distance (Å) B Occ S:Na301 b:13.7 occ:1.00 O S:HOH435 2.2 14.2 1.0 O S:ALA169 2.3 10.1 1.0 O S:TYR171 2.3 10.9 1.0 O S:VAL174 2.3 9.9 1.0 O S:HOH507 2.5 18.4 1.0 C S:TYR171 3.3 11.2 1.0 C S:ALA169 3.5 9.5 1.0 C S:VAL174 3.5 10.7 1.0 N S:TYR171 3.8 10.9 1.0 C S:LYS170 3.9 11.6 1.0 CA S:PRO172 3.9 12.1 1.0 N S:VAL174 4.0 10.6 1.0 N S:PRO172 4.0 11.2 1.0 C S:PRO172 4.0 11.3 1.0 O S:PRO172 4.0 13.2 1.0 CA S:VAL174 4.1 10.2 1.0 OD2 S:ASP197 4.1 12.5 1.0 CB S:ALA176 4.1 9.8 1.0 CB S:VAL174 4.2 10.9 1.0 CA S:TYR171 4.2 11.9 1.0 O S:GLU195 4.2 11.3 1.0 O S:LYS170 4.2 13.7 1.0 N S:ALA176 4.3 9.1 1.0 N S:LYS170 4.3 10.4 1.0 CA S:LYS170 4.4 11.4 1.0 NH2 S:ARG247 4.4 15.0 1.0 CA S:ALA169 4.5 9.9 1.0 N S:ILE175 4.6 8.8 1.0 CA S:ALA176 4.7 9.5 1.0 C S:ILE175 4.7 10.4 1.0 O S:PRO168 4.7 10.9 1.0 N S:SER173 4.8 11.8 1.0 CA S:ILE175 4.8 9.3 1.0 CB S:GLU195 4.9 11.5 1.0 O S:HOH683 4.9 35.0 1.0 CG1 S:VAL174 4.9 10.3 1.0

Sodium binding site 2 out of 2 in the Azide-Triggered Subtilisin SUBT_BACAM Complexed with the Peptide Lfral


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Azide-Triggered Subtilisin SUBT_BACAM Complexed with the Peptide Lfral within 5.0Å range: probe atom residue distance (Å) B Occ S:Na302 b:18.0 occ:1.00 O S:LEU42 2.3 20.8 1.0 O S:SER37 2.4 16.7 1.0 O S:HIS39 2.4 15.6 1.0 O S:HOH620 2.4 26.6 1.0 O S:HOH554 2.4 32.0 1.0 O S:HOH623 2.4 26.7 1.0 C S:HIS39 3.4 14.2 1.0 C S:LEU42 3.5 17.1 1.0 C S:SER37 3.5 14.6 1.0 C S:SER38 3.8 16.3 1.0 N S:HIS39 3.9 15.2 1.0 OD1 S:ASN43 4.1 34.1 1.0 CA S:SER38 4.2 15.6 1.0 O S:SER38 4.2 15.9 1.0 N S:LEU42 4.2 16.9 1.0 CA S:PRO40 4.3 18.5 1.0 N S:SER38 4.3 14.7 1.0 CA S:HIS39 4.3 13.3 1.0 N S:PRO40 4.3 16.0 1.0 O S:HOH582 4.3 27.5 1.0 CA S:LEU42 4.3 16.3 1.0 C S:PRO40 4.4 19.9 1.0 N S:ASN43 4.4 16.9 1.0 CA S:SER37 4.5 13.3 1.0 O S:PRO40 4.5 20.3 1.0 CA S:ASN43 4.6 18.1 1.0 CB S:LEU42 4.7 14.7 1.0 N S:ASP41 4.9 18.6 1.0 CG S:ASN43 5.0 28.5 1.0 CB S:HIS39 5.0 13.2 1.0

E.A.Toth, P.N.Bryan. A Programmable Proteolytic Machine That Specifically Degrades Oncogenic Ras in Vitro, in Engineered Bacteria, and in Human Cell Culture To Be Published.