Sodium in PDB 3g20: Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli

The structure of Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli, PDB code: 3g20 was solved by K.V.Korotkov, M.D.Gray, A.Kreger, S.Turley, M.Sandkvist, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.01 / 1.78
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	26.120, 36.830, 61.270, 106.94, 99.05, 90.17
R / Rfree (%)	16.8 / 22.2

The structure of Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Sodium atom in the Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli (pdb code 3g20). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli, PDB code: 3g20:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:14.8 occ:1.00 O A:ASP83 2.3 9.5 1.0 O A:HOH205 2.4 5.4 1.0 O A:HOH301 2.4 19.1 1.0 O A:HOH153 2.4 6.4 1.0 O A:HOH302 2.5 12.3 1.0 O A:HOH300 2.8 21.8 1.0 C A:ASP83 3.2 9.4 1.0 CA A:ASP83 3.8 9.1 1.0 O A:HOH12 4.1 4.9 1.0 CB A:ASP83 4.2 8.8 1.0 O A:VAL68 4.2 7.7 1.0 N A:GLY84 4.3 9.3 1.0 O A:HOH219 4.4 31.6 1.0 CA A:GLY84 4.7 9.3 1.0 OD1 A:ASP83 4.7 8.1 1.0 O A:ILE86 4.7 8.1 1.0 CG A:ASP83 5.0 9.2 1.0

Sodium binding site 2 out of 3 in the Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Na202 b:23.6 occ:1.00 O B:HOH303 2.2 25.8 1.0 O B:ASP83 2.3 9.3 1.0 O B:HOH152 2.4 18.4 1.0 O B:HOH161 2.4 8.9 1.0 O B:HOH9 2.5 8.6 1.0 C B:ASP83 3.3 10.4 1.0 CA B:ASP83 3.8 10.5 1.0 O B:HOH4 3.9 7.4 1.0 O B:VAL68 3.9 11.2 1.0 CB B:ASP83 4.3 10.8 1.0 N B:GLY84 4.4 10.2 1.0 OD1 B:ASP83 4.7 9.3 1.0 CA B:GLY84 4.8 10.2 1.0

Sodium binding site 3 out of 3 in the Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Enterohaemorrhagic Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Na203 b:34.7 occ:1.00 O B:GLU123 2.3 11.7 1.0 O B:HOH172 2.4 17.9 1.0 O B:HOH231 2.5 18.9 1.0 O B:HOH186 3.0 18.2 1.0 C B:GLU123 3.5 11.3 1.0 O B:HOH140 4.0 15.7 1.0 CB B:GLU123 4.1 11.5 1.0 CA B:GLU123 4.3 11.4 1.0 OE1 B:GLU123 4.4 16.1 1.0 O B:HOH252 4.5 9.5 1.0 N B:ASP124 4.5 10.8 1.0 CA B:ASP124 4.7 10.7 1.0 O B:HOH218 4.7 39.0 1.0

K.V.Korotkov, M.D.Gray, A.Kreger, S.Turley, M.Sandkvist, W.G.Hol. Calcium Is Essential For the Major Pseudopilin in the Type 2 Secretion System. J.Biol.Chem. V. 284 25466 2009.
ISSN: ISSN 0021-9258
PubMed: 19640838
DOI: 10.1074/JBC.C109.037655