Calcium in PDB 3fu1: Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Vibrio Cholerae

The structure of Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Vibrio Cholerae, PDB code: 3fu1 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)	27.28 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.638, 64.749, 65.041, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.3

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

Zinc

(Zn)

3 atoms

The binding sites of Calcium atom in the Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Vibrio Cholerae (pdb code 3fu1). 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 Vibrio Cholerae, PDB code: 3fu1:
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 Vibrio Cholerae


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 Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:26.5 occ:1.00 O A:LEU113 2.3 16.4 1.0 OD1 A:ASP127 2.3 19.0 1.0 O A:GLY125 2.3 15.4 1.0 O A:GLY120 2.3 18.8 1.0 O A:GLN118 2.4 22.8 1.0 OD1 A:ASP116 2.5 17.1 1.0 OD2 A:ASP116 3.2 18.6 1.0 CG A:ASP116 3.2 18.6 1.0 C A:LEU113 3.4 16.6 1.0 CG A:ASP127 3.4 17.8 1.0 C A:GLY125 3.5 15.4 1.0 C A:GLY120 3.5 19.3 1.0 C A:GLN118 3.6 23.1 1.0 N A:ASP127 4.0 15.6 1.0 CA A:LEU113 4.0 17.1 1.0 N A:GLY120 4.1 21.2 1.0 OD2 A:ASP127 4.1 20.0 1.0 C A:GLU119 4.2 22.2 1.0 C A:ALA126 4.2 15.8 1.0 N A:GLN118 4.2 22.1 1.0 CB A:LEU113 4.3 17.7 1.0 CA A:GLY125 4.3 15.3 1.0 CA A:GLY120 4.4 20.1 1.0 N A:GLY114 4.4 16.7 1.0 CA A:ASP127 4.4 16.1 1.0 N A:GLY121 4.5 18.2 1.0 N A:ALA126 4.5 15.6 1.0 N A:GLU119 4.5 23.2 1.0 CA A:GLN118 4.5 22.9 1.0 CA A:GLU119 4.5 23.4 1.0 CB A:ASP127 4.5 16.3 1.0 CA A:GLY121 4.6 17.9 1.0 CA A:GLY114 4.6 16.1 1.0 O A:ALA126 4.6 15.7 1.0 CA A:ALA126 4.6 15.8 1.0 CB A:ASP116 4.7 17.9 1.0 O A:GLU119 4.7 22.3 1.0 N A:GLY117 4.9 19.5 1.0 O A:HOH179 5.0 16.4 1.0 N A:ASP116 5.0 17.2 1.0 C A:GLY114 5.0 16.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Vibrio Cholerae


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 Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:48.7 occ:1.00 O B:GLN118 2.2 23.9 1.0 O B:LEU113 2.3 18.8 1.0 O B:GLY120 2.3 25.6 1.0 O B:GLY125 2.4 22.1 1.0 OD1 B:ASP127 2.4 18.2 1.0 OD1 B:ASP116 2.4 20.2 1.0 OD2 B:ASP116 3.2 20.1 1.0 CG B:ASP116 3.2 20.7 1.0 C B:LEU113 3.4 18.4 1.0 C B:GLN118 3.4 23.7 1.0 C B:GLY120 3.6 25.7 1.0 CG B:ASP127 3.6 19.5 1.0 C B:GLY125 3.6 22.0 1.0 N B:GLN118 4.0 22.8 1.0 N B:GLY120 4.0 25.0 1.0 CA B:LEU113 4.1 18.5 1.0 N B:ASP127 4.1 19.6 1.0 OD2 B:ASP127 4.2 18.7 1.0 C B:GLU119 4.3 24.8 1.0 C B:ALA126 4.3 20.2 1.0 CA B:GLN118 4.3 23.4 1.0 N B:GLY114 4.3 18.7 1.0 CB B:LEU113 4.4 18.4 1.0 N B:GLU119 4.4 24.4 1.0 CA B:GLY120 4.4 25.3 1.0 CA B:GLY125 4.4 22.6 1.0 N B:GLY121 4.5 26.2 1.0 CA B:GLU119 4.5 24.8 1.0 N B:ALA126 4.5 21.3 1.0 CA B:GLY114 4.5 18.6 1.0 CA B:ASP127 4.6 18.9 1.0 CA B:ALA126 4.6 20.8 1.0 CA B:GLY121 4.6 26.6 1.0 CB B:ASP116 4.6 20.4 1.0 CB B:ASP127 4.7 18.9 1.0 O B:ALA126 4.7 20.3 1.0 O B:GLU119 4.8 24.4 1.0 CB B:GLN118 4.8 23.2 1.0 N B:GLY117 4.9 21.3 1.0 C B:GLY114 4.9 18.9 1.0 N B:ASP116 5.0 20.1 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