Zinc in PDB 3pnu: 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni.

All present enzymatic activity of 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni.:
3.5.2.3;

The structure of 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni., PDB code: 3pnu was solved by G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, 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)	29.52 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.520, 80.802, 154.878, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 25

The binding sites of Zinc atom in the 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni. (pdb code 3pnu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni., PDB code: 3pnu:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn336 b:42.3 occ:1.00 OQ1 A:KCX92 2.0 44.7 1.0 O A:HOH447 2.0 45.0 1.0 NE2 A:HIS165 2.0 35.0 1.0 ND1 A:HIS131 2.1 41.3 1.0 CE1 A:HIS131 2.8 38.3 1.0 CX A:KCX92 3.0 42.4 1.0 CD2 A:HIS165 3.0 35.9 1.0 CE1 A:HIS165 3.1 32.5 1.0 CG A:HIS131 3.2 39.4 1.0 ZN A:ZN337 3.2 42.9 1.0 OQ2 A:KCX92 3.3 37.6 1.0 O A:HOH433 3.6 68.2 1.0 CB A:HIS131 3.7 36.5 1.0 CE1 A:HIS10 3.9 35.4 1.0 NE2 A:HIS131 4.0 41.4 1.0 NE2 A:HIS10 4.0 30.1 1.0 NZ A:KCX92 4.1 35.8 1.0 ND1 A:HIS165 4.1 35.1 1.0 CG A:HIS165 4.2 33.2 1.0 CD2 A:HIS131 4.2 41.4 1.0 OD1 A:ASP237 4.4 32.4 1.0 CA A:HIS131 4.5 35.0 1.0 CE2 A:TYR94 4.5 41.1 1.0 CE A:KCX92 4.6 36.7 1.0 OD2 A:ASP237 4.7 42.7 1.0 O A:LYS209 4.7 41.6 1.0 CG A:ASP237 4.8 38.7 1.0 CG2 A:THR99 4.8 75.8 1.0 OG1 A:THR99 4.9 76.2 1.0

Zinc binding site 2 out of 4 in the 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn337 b:42.9 occ:1.00 OQ2 A:KCX92 2.1 37.6 1.0 NE2 A:HIS10 2.1 30.1 1.0 OD1 A:ASP237 2.1 32.4 1.0 NE2 A:HIS12 2.2 39.0 1.0 O A:HOH447 2.4 45.0 1.0 CX A:KCX92 3.0 42.4 1.0 CE1 A:HIS10 3.1 35.4 1.0 CD2 A:HIS10 3.1 36.0 1.0 CD2 A:HIS12 3.2 36.9 1.0 ZN A:ZN336 3.2 42.3 1.0 CE1 A:HIS12 3.2 39.7 1.0 CG A:ASP237 3.3 38.7 1.0 OQ1 A:KCX92 3.3 44.7 1.0 O A:HOH433 3.3 68.2 1.0 OD2 A:ASP237 3.9 42.7 1.0 NZ A:KCX92 4.1 35.8 1.0 ND1 A:HIS10 4.2 38.5 1.0 CD2 A:HIS165 4.2 35.9 1.0 CG A:HIS10 4.3 35.5 1.0 NE2 A:HIS165 4.3 35.0 1.0 ND1 A:HIS12 4.3 43.2 1.0 CG A:HIS12 4.3 41.6 1.0 CB A:ASP237 4.4 39.3 1.0 CG A:MET36 4.5 41.4 1.0 OH A:TYR94 4.5 43.4 1.0 CA A:ASP237 4.7 40.6 1.0 O A:HOH344 4.8 31.7 1.0

Zinc binding site 3 out of 4 in the 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn336 b:40.6 occ:1.00 OQ1 B:KCX92 1.8 41.8 1.0 O B:HOH466 2.0 30.4 1.0 NE2 B:HIS165 2.1 31.6 1.0 ND1 B:HIS131 2.1 42.1 1.0 CX B:KCX92 2.8 40.5 1.0 CE1 B:HIS131 2.9 44.7 1.0 CE1 B:HIS165 3.0 36.0 1.0 CD2 B:HIS165 3.1 32.1 1.0 OQ2 B:KCX92 3.2 35.3 1.0 CG B:HIS131 3.2 39.2 1.0 ZN B:ZN337 3.4 42.1 1.0 CB B:HIS131 3.7 40.0 1.0 CE1 B:HIS10 3.9 42.3 1.0 NE2 B:HIS131 4.0 44.0 1.0 NZ B:KCX92 4.0 39.2 1.0 NE2 B:HIS10 4.0 42.7 1.0 CD2 B:HIS131 4.2 40.0 1.0 ND1 B:HIS165 4.2 36.8 1.0 CG B:HIS165 4.2 32.5 1.0 CA B:HIS131 4.4 39.0 1.0 OD2 B:ASP237 4.4 42.1 1.0 CE B:KCX92 4.5 39.4 1.0 CE2 B:TYR94 4.6 48.0 1.0 OD1 B:ASP237 4.7 32.6 1.0 CG B:ASP237 4.8 36.8 1.0 O B:LYS209 4.9 40.8 1.0

Zinc binding site 4 out of 4 in the 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn337 b:42.1 occ:1.00 O B:HOH466 1.9 30.4 1.0 OQ2 B:KCX92 1.9 35.3 1.0 NE2 B:HIS12 2.1 34.0 1.0 NE2 B:HIS10 2.1 42.7 1.0 OD1 B:ASP237 2.3 32.6 1.0 CX B:KCX92 2.9 40.5 1.0 CE1 B:HIS12 3.0 34.6 1.0 CD2 B:HIS12 3.0 35.6 1.0 CE1 B:HIS10 3.0 42.3 1.0 CD2 B:HIS10 3.0 42.4 1.0 CG B:ASP237 3.2 36.8 1.0 OQ1 B:KCX92 3.3 41.8 1.0 ZN B:ZN336 3.4 40.6 1.0 OD2 B:ASP237 3.7 42.1 1.0 NZ B:KCX92 4.0 39.2 1.0 ND1 B:HIS12 4.1 41.3 1.0 ND1 B:HIS10 4.1 41.5 1.0 CG B:HIS12 4.2 40.2 1.0 CG B:HIS10 4.2 40.0 1.0 CB B:ASP237 4.3 39.4 1.0 CD2 B:HIS165 4.3 32.1 1.0 CG B:MET36 4.4 41.2 1.0 NE2 B:HIS165 4.4 31.6 1.0 OH B:TYR94 4.6 44.3 1.0 CA B:ASP237 4.7 38.4 1.0 O B:HOH341 4.9 31.4 1.0 CB B:MET36 5.0 42.6 1.0

G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.4 Angstrom Crystal Structure of Dihydroorotase (Pyrc) From Campylobacter Jejuni. To Be Published.