Zinc in PDB 1xrt: The Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7 A Resolution

All present enzymatic activity of The Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7 A Resolution:
3.5.2.3;

The structure of The Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7 A Resolution, PDB code: 1xrt was solved by P.D.Martin, C.Purcarea, P.Zhang, A.Vaishnav, S.Sadecki, H.I.Guy-Evans, D.R.Evans, B.F.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.61
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	174.201, 91.235, 61.183, 90.00, 93.15, 90.00
R / Rfree (%)	16.5 / 20.8

The binding sites of Zinc atom in the The Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7 A Resolution (pdb code 1xrt). 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 Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7 A Resolution, PDB code: 1xrt:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1423 b:34.7 occ:1.00 NE2 A:HIS61 2.1 16.2 1.0 NE2 A:HIS63 2.2 19.9 1.0 OD2 A:ASP153 2.2 23.7 1.0 SG A:CYS181 2.3 29.5 1.0 OD1 A:ASP153 2.8 22.8 1.0 CG A:ASP153 2.9 25.7 1.0 CE1 A:HIS63 2.9 18.6 1.0 CE1 A:HIS61 3.0 20.7 1.0 CD2 A:HIS61 3.1 18.6 1.0 CD2 A:HIS63 3.3 17.1 1.0 CB A:CYS181 3.3 28.4 1.0 OD1 A:ASP305 3.4 21.0 1.0 CB A:ASP183 3.9 28.7 1.0 CG A:MET93 3.9 15.4 1.0 O A:HOH1602 4.1 41.7 1.0 ND1 A:HIS63 4.1 14.3 1.0 ND1 A:HIS61 4.2 19.2 1.0 CG A:HIS61 4.2 15.5 1.0 CG A:HIS63 4.3 16.4 1.0 CB A:ASP153 4.3 25.9 1.0 CG A:ASP305 4.3 21.0 1.0 OE1 A:GLN231 4.4 27.2 1.0 SD A:MET93 4.5 17.5 1.0 CB A:MET93 4.7 14.9 1.0 CG A:ASP183 4.7 28.5 1.0 CA A:CYS181 4.7 27.8 1.0 N A:ASP183 4.9 30.0 1.0 OD2 A:ASP305 4.9 28.0 1.0 CD A:GLN231 4.9 23.5 1.0 CA A:ASP183 4.9 29.9 1.0 O A:HOH1617 4.9 41.0 1.0

Zinc binding site 2 out of 2 in the The Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1424 b:34.0 occ:1.00 NE2 B:HIS61 2.1 16.5 1.0 OD2 B:ASP153 2.1 25.6 1.0 NE2 B:HIS63 2.3 18.8 1.0 SG B:CYS181 2.3 23.2 1.0 OD1 B:ASP153 2.7 21.1 1.0 CG B:ASP153 2.8 25.9 1.0 CE1 B:HIS63 3.0 17.1 1.0 CE1 B:HIS61 3.0 19.9 1.0 CD2 B:HIS61 3.2 16.6 1.0 CB B:CYS181 3.3 27.7 1.0 CD2 B:HIS63 3.4 16.5 1.0 OD1 B:ASP305 3.6 18.4 1.0 CG B:MET93 3.9 12.3 1.0 CB B:ASP183 4.0 30.1 1.0 O B:HOH1504 4.0 39.8 1.0 ND1 B:HIS61 4.2 18.7 1.0 ND1 B:HIS63 4.2 14.8 1.0 CG B:HIS61 4.3 15.0 1.0 OE1 B:GLN231 4.3 29.8 1.0 CB B:ASP153 4.3 26.4 1.0 CG B:ASP305 4.4 22.5 1.0 CG B:HIS63 4.4 13.9 1.0 SD B:MET93 4.5 15.9 1.0 CB B:MET93 4.7 14.8 1.0 CA B:CYS181 4.7 27.4 1.0 O B:HOH1594 4.7 40.8 1.0 CG B:ASP183 4.7 26.7 1.0 CD B:GLN231 4.8 26.5 1.0 OD2 B:ASP305 4.8 29.0 1.0 N B:ASP183 4.9 30.9 1.0

P.D.Martin, C.Purcarea, P.Zhang, A.Vaishnav, S.Sadecki, H.I.Guy-Evans, D.R.Evans, B.F.Edwards. The Crystal Structure of A Novel, Latent Dihydroorotase From Aquifex Aeolicus at 1.7A Resolution J.Mol.Biol. V. 348 535 2005.
ISSN: ISSN 0022-2836
PubMed: 15826652
DOI: 10.1016/J.JMB.2005.03.015