Zinc in PDB 4ixj: The Structure of Pilj, A Type IV Pilin From Clostridium Difficile

The structure of The Structure of Pilj, A Type IV Pilin From Clostridium Difficile, PDB code: 4ixj was solved by K.H.Piepenbrink, E.J.Sundberg, G.A.Snyder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.71 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.823, 77.857, 133.661, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23

The binding sites of Zinc atom in the The Structure of Pilj, A Type IV Pilin From Clostridium Difficile (pdb code 4ixj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Structure of Pilj, A Type IV Pilin From Clostridium Difficile, PDB code: 4ixj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The Structure of Pilj, A Type IV Pilin From Clostridium Difficile


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Structure of Pilj, A Type IV Pilin From Clostridium Difficile within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:19.3 occ:1.00 ND1 A:HIS114 2.3 18.0 1.0 SG A:CYS111 2.3 19.5 1.0 SG A:CYS36 2.4 17.0 1.0 SG A:CYS81 2.4 20.0 1.0 CB A:CYS81 3.2 22.6 1.0 CE1 A:HIS114 3.2 20.9 1.0 CB A:CYS36 3.2 16.4 1.0 CG A:HIS114 3.3 18.1 1.0 CB A:CYS111 3.4 13.7 1.0 CB A:HIS114 3.5 17.7 1.0 N A:HIS114 4.2 16.9 1.0 CA A:CYS81 4.3 21.0 1.0 NE2 A:HIS114 4.3 19.1 1.0 CD2 A:HIS114 4.4 19.5 1.0 CE1 A:TYR87 4.5 19.0 1.0 OH A:TYR87 4.5 17.7 1.0 CA A:HIS114 4.5 17.4 1.0 C A:LYS113 4.5 19.7 1.0 CB A:LYS113 4.6 21.8 1.0 CA A:CYS36 4.7 17.4 1.0 NH1 A:ARG40 4.7 16.1 1.0 CA A:GLY85 4.7 17.6 1.0 CA A:CYS111 4.8 16.7 1.0 CZ A:TYR87 4.8 19.0 1.0 N A:LYS113 4.9 16.1 1.0 CA A:LYS113 4.9 18.5 1.0 N A:GLY85 4.9 22.5 1.0

Zinc binding site 2 out of 2 in the The Structure of Pilj, A Type IV Pilin From Clostridium Difficile


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Structure of Pilj, A Type IV Pilin From Clostridium Difficile within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:18.0 occ:1.00 ND1 B:HIS114 2.2 16.0 1.0 SG B:CYS111 2.4 17.3 1.0 SG B:CYS36 2.4 16.8 1.0 SG B:CYS81 2.4 16.9 1.0 CE1 B:HIS114 3.1 18.9 1.0 CG B:HIS114 3.2 15.6 1.0 CB B:CYS81 3.2 15.8 1.0 CB B:CYS36 3.3 17.8 1.0 CB B:CYS111 3.4 18.0 1.0 CB B:HIS114 3.6 16.2 1.0 N B:HIS114 4.2 15.3 1.0 NE2 B:HIS114 4.3 17.0 1.0 CD2 B:HIS114 4.3 16.5 1.0 CB B:LYS113 4.4 19.3 1.0 OH B:TYR87 4.4 20.5 1.0 CA B:CYS81 4.4 20.1 1.0 CA B:HIS114 4.5 15.3 1.0 CE1 B:TYR87 4.5 17.6 1.0 CA B:CYS36 4.7 19.2 1.0 CA B:GLY85 4.7 19.1 1.0 C B:LYS113 4.8 18.6 1.0 N B:LYS113 4.8 18.2 1.0 CA B:CYS111 4.8 18.7 1.0 NH1 B:ARG40 4.8 17.8 1.0 CZ B:TYR87 4.8 18.1 1.0 CA B:LYS113 4.9 18.0 1.0 N B:GLY85 5.0 20.9 1.0 CB B:SER83 5.0 17.3 1.0

K.H.Piepenbrink, G.A.Maldarelli, C.F.De La Pena, G.L.Mulvey, G.A.Snyder, L.De Masi, E.C.Von Rosenvinge, S.Gunther, G.D.Armstrong, M.S.Donnenberg, E.J.Sundberg. Structure of Clostridium Difficile Pilj Exhibits Unprecedented Divergence From Known Type IV Pilins. J.Biol.Chem. V. 289 4334 2014.
ISSN: ISSN 0021-9258
PubMed: 24362261
DOI: 10.1074/JBC.M113.534404