Zinc 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:

Calcium

(Ca)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of the Major Pseudopilin From the Type 2 Secretion System of Vibrio Cholerae, PDB code: 3fu1:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 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 Zinc with other atoms in the Zn 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:Zn201 b:22.1 occ:1.00 OXT B:GLN137 2.0 15.9 1.0 OE2 A:GLU44 2.0 15.4 1.0 OD2 A:ASP48 2.0 14.9 1.0 C B:GLN137 2.8 16.9 1.0 O B:GLN137 2.8 16.4 1.0 CG A:ASP48 2.9 14.6 1.0 CD A:GLU44 3.0 17.9 1.0 OD1 A:ASP48 3.1 16.8 1.0 CG A:GLU44 3.3 16.5 1.0 O A:HOH10 3.9 24.0 1.0 OE1 A:GLU44 4.1 19.1 1.0 O A:HOH169 4.1 35.4 1.0 O B:HOH156 4.2 31.9 1.0 CA B:GLN137 4.2 17.2 1.0 CB A:ASP48 4.3 13.7 1.0 O B:HOH245 4.3 34.7 1.0 CB B:GLN137 4.6 17.5 1.0 OH A:TYR57 4.7 18.7 1.0 O A:GLU44 4.7 17.2 1.0 CB A:GLU44 4.8 17.1 1.0 N B:GLN137 4.9 16.9 1.0

Zinc binding site 2 out of 3 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 Zinc with other atoms in the Zn 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:Zn201 b:27.9 occ:1.00 OE2 B:GLU44 1.9 17.9 1.0 OD2 B:ASP48 2.0 18.4 1.0 O B:HOH155 2.1 16.9 1.0 OXT A:GLN137 2.1 19.3 1.0 O A:GLN137 2.6 19.1 1.0 C A:GLN137 2.7 19.5 1.0 CG B:ASP48 2.8 16.6 1.0 CD B:GLU44 3.0 16.9 1.0 OD1 B:ASP48 3.0 18.0 1.0 CG B:GLU44 3.3 15.3 1.0 O A:HOH145 3.6 30.7 1.0 O B:HOH288 4.0 32.8 1.0 O B:HOH230 4.0 35.1 1.0 O B:HOH5 4.0 16.7 1.0 OE1 B:GLU44 4.1 18.9 1.0 CA A:GLN137 4.1 19.9 1.0 CB B:ASP48 4.3 16.3 1.0 CB A:GLN137 4.4 20.2 1.0 O B:GLU44 4.8 15.0 1.0 OH B:TYR57 4.8 21.0 1.0 CB B:GLU44 4.8 15.2 1.0 N A:GLN137 4.8 19.7 1.0 NZ A:LYS30 5.0 22.2 1.0

Zinc binding site 3 out of 3 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 Zinc with other atoms in the Zn binding site number 3 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:Zn1 b:25.8 occ:0.50 O B:HOH295 2.0 29.5 1.0 O B:HOH170 2.1 25.0 1.0 OE1 B:GLN134 2.1 16.8 0.5 CD B:GLN134 3.4 19.7 0.5 O A:HOH276 4.1 45.4 1.0 O A:HOH184 4.1 25.8 1.0 O A:TRP131 4.2 15.2 1.0 NE2 B:GLN134 4.3 19.4 0.5 CG B:GLN134 4.3 19.9 0.5 O A:HOH160 4.3 37.8 1.0 O A:HOH139 4.3 38.7 1.0 CA A:TRP131 5.0 15.1 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