Calcium 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:

Sodium

(Na)

3 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium 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 Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 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 Calcium with other atoms in the Ca 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:Ca201 b:34.2 occ:1.00 O A:PRO114 2.2 10.5 1.0 O A:VAL119 2.3 12.6 1.0 OD1 A:ASP125 2.4 11.0 1.0 OG1 A:THR122 2.4 9.8 1.0 OD1 A:ASP117 2.5 8.1 1.0 C A:PRO114 3.3 9.9 1.0 C A:VAL119 3.4 12.4 1.0 CG A:ASP117 3.4 11.0 1.0 CB A:THR122 3.5 11.1 1.0 CB A:ASP124 3.5 12.6 1.0 N A:ASP125 3.6 10.6 1.0 OD2 A:ASP117 3.6 9.9 1.0 CG A:ASP125 3.6 10.8 1.0 CA A:PRO114 3.8 9.6 1.0 CG2 A:THR122 3.8 10.9 1.0 N A:THR122 3.8 11.0 1.0 N A:VAL119 3.8 12.6 1.0 C A:ASP124 4.0 11.5 1.0 CA A:THR122 4.1 11.1 1.0 CA A:ASP124 4.1 12.3 1.0 CA A:VAL119 4.1 12.4 1.0 CB A:PRO114 4.2 9.8 1.0 N A:ASP124 4.2 12.1 1.0 CA A:ASP125 4.2 9.9 1.0 O A:THR122 4.2 11.1 1.0 C A:THR122 4.3 11.4 1.0 OD2 A:ASP125 4.4 13.4 1.0 N A:PRO120 4.4 12.2 1.0 N A:GLY115 4.5 10.1 1.0 CB A:VAL119 4.5 12.6 1.0 CB A:ASP125 4.5 10.4 1.0 CA A:PRO120 4.6 12.0 1.0 C A:PRO120 4.6 11.8 1.0 N A:GLY118 4.6 12.4 1.0 N A:ASN121 4.7 11.3 1.0 CG A:ASP124 4.7 14.2 1.0 O A:ASP124 4.8 11.6 1.0 CB A:ASP117 4.8 11.6 1.0 C A:GLY118 4.9 12.7 1.0 CA A:GLY115 4.9 10.2 1.0 C A:ASN121 5.0 11.2 1.0

Calcium binding site 2 out of 2 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 Calcium with other atoms in the Ca 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:Ca201 b:27.6 occ:1.00 O B:VAL119 2.2 9.3 1.0 OD1 B:ASP125 2.2 12.1 1.0 O B:PRO114 2.3 9.3 1.0 OG1 B:THR122 2.5 9.0 1.0 OD1 B:ASP117 2.6 10.5 1.0 C B:VAL119 3.3 10.0 1.0 C B:PRO114 3.3 9.4 1.0 CG B:ASP125 3.5 11.1 1.0 CG B:ASP117 3.5 10.3 1.0 CB B:THR122 3.6 10.9 1.0 CB B:ASP124 3.6 10.9 1.0 OD2 B:ASP117 3.6 10.1 1.0 N B:ASP125 3.7 10.3 1.0 CA B:PRO114 3.7 9.6 1.0 CG2 B:THR122 3.8 10.6 1.0 N B:VAL119 3.8 10.0 1.0 N B:THR122 3.9 11.1 1.0 C B:ASP124 4.1 10.7 1.0 CA B:VAL119 4.1 10.2 1.0 CB B:PRO114 4.1 9.3 1.0 CA B:ASP125 4.1 9.9 1.0 CA B:THR122 4.2 10.8 1.0 O B:THR122 4.2 10.6 1.0 N B:PRO120 4.2 10.5 1.0 CA B:ASP124 4.2 10.7 1.0 OD2 B:ASP125 4.3 12.7 1.0 CA B:PRO120 4.3 10.6 1.0 C B:THR122 4.4 10.8 1.0 N B:ASP124 4.4 10.8 1.0 CB B:ASP125 4.4 9.8 1.0 C B:PRO120 4.4 10.6 1.0 CB B:VAL119 4.5 10.1 1.0 N B:GLY115 4.5 9.9 1.0 N B:ASN121 4.6 11.2 1.0 N B:GLY118 4.7 9.6 1.0 CG B:ASP124 4.8 11.7 1.0 O B:ASP124 4.8 10.0 1.0 C B:GLY118 4.9 9.9 1.0 CA B:GLY115 4.9 10.6 1.0 CB B:ASP117 4.9 10.3 1.0 O B:PRO120 4.9 9.9 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