Zinc in PDB 4egu: 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile

The structure of 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile, PDB code: 4egu was solved by S.M.Anderson, Z.Wawrzak, M.Kudritska, S.N.Peterson, W.F.Anderson, A.Savchenko, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 0.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.065, 65.848, 89.041, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 15.2

The structure of 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Zinc atom in the 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile (pdb code 4egu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile, PDB code: 4egu:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the 0.95A Resolution Structure of A Histidine Triad Protein 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 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn202 b:10.7 occ:1.00 ND1 A:HIS48 2.0 10.8 1.0 ND1 A:HIS100 2.1 9.9 1.0 SG A:CYS9 2.3 13.0 1.0 SG A:CYS6 2.3 11.8 1.0 HB2 A:HIS100 2.9 10.9 1.0 CE1 A:HIS48 3.0 11.8 1.0 H A:CYS9 3.0 14.1 1.0 CE1 A:HIS100 3.0 10.2 1.0 HB2 A:HIS48 3.0 14.4 1.0 HB3 A:CYS6 3.1 14.7 1.0 HE1 A:HIS48 3.1 14.1 1.0 CG A:HIS48 3.1 11.5 1.0 CG A:HIS100 3.1 9.5 1.0 HE1 A:HIS100 3.2 12.3 1.0 CB A:CYS6 3.2 12.2 1.0 CB A:CYS9 3.4 12.9 1.0 HB2 A:CYS9 3.4 15.4 1.0 HB2 A:CYS6 3.4 14.7 1.0 N A:CYS9 3.4 11.8 1.0 CB A:HIS100 3.5 9.1 1.0 CB A:HIS48 3.5 12.0 1.0 CA A:CYS9 3.8 12.9 1.0 HB2 A:ARG3 3.8 40.2 1.0 HA A:CYS9 3.9 15.4 1.0 HA A:HIS48 3.9 13.2 1.0 HB2 A:PHE8 4.1 14.6 1.0 NE2 A:HIS48 4.1 12.2 1.0 HB3 A:HIS100 4.1 10.9 1.0 NE2 A:HIS100 4.2 10.4 1.0 HB3 A:CYS9 4.2 15.4 1.0 CD2 A:HIS48 4.2 12.0 1.0 H A:ARG3 4.2 31.5 1.0 CD2 A:HIS100 4.2 10.3 1.0 CA A:HIS48 4.3 11.0 1.0 HB3 A:HIS48 4.3 14.4 1.0 C A:PHE8 4.4 12.7 1.0 HA A:HIS100 4.4 10.8 1.0 HD3 A:ARG3 4.5 57.9 1.0 CA A:HIS100 4.6 9.0 1.0 CA A:CYS6 4.6 12.6 1.0 H A:PHE8 4.6 14.3 1.0 HA A:GLU2 4.7 37.0 1.0 CB A:ARG3 4.7 33.5 1.0 HG3 A:ARG3 4.8 50.3 1.0 CB A:PHE8 4.8 12.1 1.0 HE2 A:HIS48 4.9 14.6 1.0 N A:ARG3 4.9 26.2 1.0 O A:CYS6 4.9 13.9 1.0 CA A:PHE8 4.9 11.8 1.0 C A:CYS6 4.9 12.8 1.0 HE2 A:HIS100 4.9 12.5 1.0 HA A:CYS6 4.9 15.1 1.0 HB3 A:PHE8 5.0 14.6 1.0 N A:PHE8 5.0 11.9 1.0 O A:HOH340 5.0 24.2 1.0

Zinc binding site 2 out of 3 in the 0.95A Resolution Structure of A Histidine Triad Protein 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 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:9.5 occ:0.50 ZN B:ZN202 0.0 9.5 0.5 ZN B:ZN202 0.5 9.3 0.5 ND1 B:HIS100 2.0 10.8 1.0 SG B:CYS9 2.2 12.7 1.0 SG B:CYS6 2.3 12.0 1.0 ND1 B:HIS48 2.3 11.9 1.0 H B:CYS9 2.7 14.5 1.0 CE1 B:HIS100 2.9 10.3 1.0 HB2 B:HIS100 2.9 11.6 1.0 HE1 B:HIS100 3.0 12.4 1.0 HB3 B:CYS6 3.0 14.8 1.0 CG B:HIS100 3.1 9.6 1.0 HB2 B:HIS48 3.2 15.4 1.0 CB B:CYS6 3.2 12.3 1.0 CB B:CYS9 3.2 13.3 1.0 N B:CYS9 3.2 12.1 1.0 CE1 B:HIS48 3.2 12.5 1.0 HB2 B:CYS9 3.2 15.9 1.0 HE1 B:HIS48 3.3 15.0 1.0 CG B:HIS48 3.4 11.9 1.0 HB2 B:CYS6 3.5 14.8 1.0 CB B:HIS100 3.5 9.7 1.0 CA B:CYS9 3.5 13.3 1.0 HA B:CYS9 3.6 15.9 1.0 CB B:HIS48 3.7 12.8 1.0 HA B:HIS48 3.8 13.8 1.0 HB2 B:ARG3 3.9 32.6 1.0 HB2 B:PHE8 4.0 13.8 1.0 NE2 B:HIS100 4.0 10.4 1.0 H B:ARG3 4.0 34.1 1.0 HB3 B:CYS9 4.1 15.9 1.0 HB3 B:HIS100 4.1 11.6 1.0 CD2 B:HIS100 4.1 10.3 1.0 C B:PHE8 4.1 12.1 1.0 CA B:HIS48 4.3 11.5 1.0 NE2 B:HIS48 4.4 13.1 1.0 H B:PHE8 4.4 14.1 1.0 CD2 B:HIS48 4.5 12.9 1.0 HG2 B:ARG3 4.5 36.0 1.0 HA B:HIS100 4.5 11.0 1.0 CA B:CYS6 4.5 13.3 1.0 HB3 B:HIS48 4.5 15.4 1.0 HG3 B:ARG3 4.6 36.0 1.0 CA B:HIS100 4.6 9.2 1.0 CB B:PHE8 4.7 11.5 1.0 CB B:ARG3 4.7 27.1 1.0 O B:CYS6 4.7 13.7 1.0 CA B:PHE8 4.7 11.7 1.0 HE2 B:HIS100 4.8 12.4 1.0 N B:PHE8 4.8 11.8 1.0 N B:ARG3 4.8 28.4 1.0 HB3 B:PHE8 4.8 13.8 1.0 C B:CYS6 4.8 12.6 1.0 CG B:ARG3 4.8 30.0 1.0 HA B:GLU2 4.8 51.4 1.0 O B:PHE8 5.0 13.5 1.0 HA B:CYS6 5.0 15.9 1.0

Zinc binding site 3 out of 3 in the 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:9.3 occ:0.50 ZN B:ZN202 0.0 9.3 0.5 ZN B:ZN202 0.5 9.5 0.5 ND1 B:HIS48 1.9 11.9 1.0 ND1 B:HIS100 2.2 10.8 1.0 SG B:CYS6 2.3 12.0 1.0 SG B:CYS9 2.4 12.7 1.0 CE1 B:HIS48 2.7 12.5 1.0 HE1 B:HIS48 2.9 15.0 1.0 HB2 B:HIS100 2.9 11.6 1.0 CG B:HIS48 3.0 11.9 1.0 HB2 B:HIS48 3.0 15.4 1.0 HB3 B:CYS6 3.0 14.8 1.0 CE1 B:HIS100 3.1 10.3 1.0 CB B:CYS6 3.1 12.3 1.0 H B:CYS9 3.1 14.5 1.0 CG B:HIS100 3.2 9.6 1.0 HE1 B:HIS100 3.3 12.4 1.0 HB2 B:CYS6 3.3 14.8 1.0 CB B:HIS48 3.4 12.8 1.0 CB B:CYS9 3.5 13.3 1.0 HB2 B:CYS9 3.5 15.9 1.0 CB B:HIS100 3.5 9.7 1.0 HB2 B:ARG3 3.6 32.6 1.0 N B:CYS9 3.7 12.1 1.0 HA B:HIS48 3.7 13.8 1.0 NE2 B:HIS48 3.9 13.1 1.0 H B:ARG3 4.0 34.1 1.0 CA B:CYS9 4.0 13.3 1.0 HA B:CYS9 4.0 15.9 1.0 CD2 B:HIS48 4.0 12.9 1.0 HG2 B:ARG3 4.1 36.0 1.0 HG3 B:ARG3 4.1 36.0 1.0 CA B:HIS48 4.2 11.5 1.0 HB3 B:HIS100 4.2 11.6 1.0 NE2 B:HIS100 4.3 10.4 1.0 HB3 B:HIS48 4.3 15.4 1.0 HA B:HIS100 4.3 11.0 1.0 HB2 B:PHE8 4.3 13.8 1.0 CD2 B:HIS100 4.3 10.3 1.0 HB3 B:CYS9 4.4 15.9 1.0 CG B:ARG3 4.4 30.0 1.0 CB B:ARG3 4.4 27.1 1.0 CA B:HIS100 4.5 9.2 1.0 CA B:CYS6 4.6 13.3 1.0 C B:PHE8 4.6 12.1 1.0 HE2 B:HIS48 4.7 15.7 1.0 N B:ARG3 4.7 28.4 1.0 H B:PHE8 4.7 14.1 1.0 HA B:GLU2 4.8 51.4 1.0 O B:LYS99 4.8 11.1 1.0 HD2 B:HIS48 4.9 15.5 1.0 HA B:CYS6 4.9 15.9 1.0 C B:CYS6 5.0 12.6 1.0 O B:CYS6 5.0 13.7 1.0

S.M.Anderson, Z.Wawrzak, M.Kudritska, S.N.Peterson, W.F.Anderson, A.Savchenko. 0.95A Resolution Structure of A Histidine Triad Protein From Clostridium Difficile To Be Published.