Potassium in PDB 2xtl: Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae

The structure of Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae, PDB code: 2xtl was solved by D.Rinauda, L.J.Gourlay, M.Soriano, G.Grandi, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.863, 104.681, 159.250, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.6

The binding sites of Potassium atom in the Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae (pdb code 2xtl). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae, PDB code: 2xtl:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae within 5.0Å range: probe atom residue distance (Å) B Occ A:K1641 b:22.7 occ:1.00 OD1 A:ASN448 2.4 34.2 1.0 O A:PRO449 2.4 30.4 1.0 OE1 A:GLU451 2.4 28.8 1.0 OD1 A:ASP326 2.5 26.8 1.0 O A:HOH2310 2.5 14.3 1.0 OE2 A:GLU451 2.7 29.6 1.0 O A:VAL327 2.7 25.0 1.0 CD A:GLU451 2.9 27.9 1.0 CG A:ASN448 3.6 36.7 1.0 C A:PRO449 3.6 32.1 1.0 CG A:ASP326 3.6 27.1 1.0 N A:VAL327 3.7 22.7 1.0 C A:VAL327 3.7 24.6 1.0 N A:PRO449 3.9 33.4 1.0 O A:HOH2168 4.1 18.1 1.0 C A:ASN448 4.1 35.2 1.0 CD A:PRO449 4.2 31.8 1.0 CA A:ASP326 4.2 23.6 1.0 C A:ASP326 4.2 22.8 1.0 CA A:VAL327 4.3 22.9 1.0 O A:HOH2312 4.3 16.0 1.0 CA A:PRO449 4.4 33.2 1.0 ND2 A:ASN448 4.4 40.8 1.0 OD2 A:ASP326 4.4 28.5 1.0 CG A:GLU451 4.4 27.1 1.0 CG A:PRO449 4.4 30.7 1.0 CG A:LYS328 4.4 31.5 1.0 CB A:ASP326 4.4 23.9 1.0 CA A:ASN448 4.4 35.9 1.0 N A:SER450 4.6 32.4 1.0 O A:ASN448 4.6 36.6 1.0 CB A:ASN448 4.6 37.1 1.0 O A:HOH2313 4.6 13.0 1.0 CA A:SER450 4.7 32.0 1.0 CG1 A:VAL327 4.8 23.1 1.0 C A:SER450 4.8 30.2 1.0 N A:LYS328 4.8 25.2 1.0 CE A:LYS328 4.9 36.4 1.0 O A:SER450 5.0 29.5 1.0 CB A:PRO449 5.0 32.2 1.0

Potassium binding site 2 out of 3 in the Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae within 5.0Å range: probe atom residue distance (Å) B Occ A:K1642 b:31.5 occ:1.00 O A:LYS629 2.6 52.4 1.0 O A:LYS614 2.7 50.3 1.0 O A:SER616 3.1 55.6 1.0 C A:LYS629 3.8 51.9 1.0 N A:SER616 3.9 51.3 1.0 C A:SER616 3.9 56.5 1.0 C A:LYS614 3.9 48.4 1.0 C A:GLY615 4.0 50.0 1.0 CB A:ASP619 4.3 50.6 1.0 CA A:GLY615 4.3 47.1 1.0 CB A:LYS629 4.4 58.0 1.0 OD2 A:ASP619 4.4 45.4 1.0 CA A:SER616 4.4 54.1 1.0 O A:GLY615 4.5 51.0 1.0 O A:HOH2448 4.6 20.4 1.0 N A:GLY615 4.6 46.8 1.0 CA A:LYS629 4.7 54.8 1.0 CG A:ASP619 4.7 48.2 1.0 N A:ASP630 4.8 48.2 1.0 N A:ALA617 4.8 59.5 1.0 CA A:ASP630 4.8 45.7 1.0

Potassium binding site 3 out of 3 in the Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of the Major Pilus Backbone Protein From Streptococcus Agalactiae within 5.0Å range: probe atom residue distance (Å) B Occ B:K1642 b:20.3 occ:1.00 OD1 B:ASN448 2.3 30.4 1.0 O B:PRO449 2.4 28.6 1.0 OE2 B:GLU451 2.5 25.7 1.0 O B:HOH2325 2.6 14.1 1.0 OD1 B:ASP326 2.6 25.6 1.0 O B:VAL327 2.7 23.3 1.0 OE1 B:GLU451 2.7 29.6 1.0 CD B:GLU451 2.9 27.4 1.0 CG B:ASN448 3.5 32.2 1.0 C B:PRO449 3.6 30.8 1.0 N B:VAL327 3.7 22.3 1.0 CG B:ASP326 3.7 25.5 1.0 C B:VAL327 3.7 22.7 1.0 N B:PRO449 4.0 30.2 1.0 O B:HOH2158 4.0 17.1 1.0 C B:ASN448 4.1 31.9 1.0 CD B:PRO449 4.2 28.8 1.0 CA B:ASP326 4.2 22.8 1.0 C B:ASP326 4.2 22.1 1.0 O B:HOH2321 4.3 18.6 1.0 ND2 B:ASN448 4.3 37.4 1.0 CA B:VAL327 4.3 21.6 1.0 CA B:PRO449 4.4 31.1 1.0 CG B:LYS328 4.4 27.3 1.0 CG B:GLU451 4.4 26.5 1.0 CA B:ASN448 4.4 31.4 1.0 CG B:PRO449 4.5 28.4 1.0 OD2 B:ASP326 4.5 26.2 1.0 CB B:ASP326 4.5 23.4 1.0 O B:ASN448 4.5 33.3 1.0 N B:SER450 4.6 32.4 1.0 CB B:ASN448 4.6 32.2 1.0 O B:HOH2323 4.6 11.5 1.0 CA B:SER450 4.7 32.5 1.0 C B:SER450 4.8 31.1 1.0 CG1 B:VAL327 4.8 22.2 1.0 N B:LYS328 4.8 22.5 1.0 CE B:LYS328 4.9 31.2 1.0 O B:SER450 4.9 30.4 1.0

A.Nuccitelli, R.Cozzi, L.J.Gourlay, D.Donnarumma, F.Necchi, N.Norais, J.L.Telford, R.Rappuoli, M.Bolognesi, D.Maione, G.Grandi, C.D.Rinaudo. Structure-Based Approach to Rationally Design A Chimeric Protein For An Effective Vaccine Against Group B Streptococcus Infections. Proc.Natl.Acad.Sci.Usa V. 108 10278 2011.
ISSN: ISSN 0027-8424
PubMed: 21593422
DOI: 10.1073/PNAS.1106590108