Zinc in PDB 3mjm: HIS257ALA Mutant of Dihydroorotase From E. Coli

All present enzymatic activity of HIS257ALA Mutant of Dihydroorotase From E. Coli:
3.5.2.3;

The structure of HIS257ALA Mutant of Dihydroorotase From E. Coli, PDB code: 3mjm was solved by K.E.Ernberg, J.M.Guss, M.Lee, M.J.Maher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.13 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.115, 79.063, 180.436, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20

The binding sites of Zinc atom in the HIS257ALA Mutant of Dihydroorotase From E. Coli (pdb code 3mjm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the HIS257ALA Mutant of Dihydroorotase From E. Coli, PDB code: 3mjm:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the HIS257ALA Mutant of Dihydroorotase From E. Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of HIS257ALA Mutant of Dihydroorotase From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:35.5 occ:1.00 OQ2 A:KCX102 2.0 29.7 1.0 O A:HOH453 2.1 33.0 1.0 ND1 A:HIS139 2.1 33.2 1.0 NE2 A:HIS177 2.1 27.9 1.0 CE1 A:HIS139 2.9 32.2 1.0 O4 A:DOR1410 2.9 41.7 1.0 CX A:KCX102 3.0 33.0 1.0 CE1 A:HIS177 3.0 28.9 1.0 CD2 A:HIS177 3.2 25.5 1.0 CG A:HIS139 3.2 30.9 1.0 OQ1 A:KCX102 3.2 31.1 1.0 ZN A:ZN401 3.5 32.6 1.0 C4 A:DOR1410 3.6 41.7 1.0 CB A:HIS139 3.7 30.4 1.0 NE2 A:HIS139 4.0 31.7 1.0 CE1 A:HIS16 4.1 27.8 1.0 NZ A:KCX102 4.2 30.0 1.0 ND1 A:HIS177 4.2 27.2 1.0 CD2 A:HIS139 4.2 31.2 1.0 N3 A:DOR1410 4.2 40.3 1.0 NE2 A:HIS16 4.2 25.7 1.0 CG A:HIS177 4.3 28.6 1.0 OD2 A:ASP250 4.3 28.9 1.0 CE2 A:TYR104 4.4 28.2 1.0 O A:HOH496 4.5 51.5 1.0 C5 A:DOR1410 4.5 38.3 1.0 O A:LEU222 4.6 31.0 1.0 CA A:HIS139 4.6 29.8 1.0 CE A:KCX102 4.6 30.7 1.0 OD1 A:ASP250 4.8 29.3 1.0 CG A:ASP250 4.8 29.9 1.0 CD2 A:TYR104 4.9 29.5 1.0

Zinc binding site 2 out of 4 in the HIS257ALA Mutant of Dihydroorotase From E. Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of HIS257ALA Mutant of Dihydroorotase From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:32.6 occ:1.00 O A:HOH453 1.9 33.0 1.0 OD1 A:ASP250 2.0 29.3 1.0 NE2 A:HIS18 2.1 23.8 1.0 NE2 A:HIS16 2.1 25.7 1.0 OQ1 A:KCX102 2.2 31.1 1.0 CG A:ASP250 3.0 29.9 1.0 CD2 A:HIS18 3.0 27.5 1.0 CD2 A:HIS16 3.1 24.3 1.0 CX A:KCX102 3.1 33.0 1.0 CE1 A:HIS18 3.1 27.2 1.0 CE1 A:HIS16 3.1 27.8 1.0 OD2 A:ASP250 3.4 28.9 1.0 OQ2 A:KCX102 3.5 29.7 1.0 ZN A:ZN400 3.5 35.5 1.0 NZ A:KCX102 4.1 30.0 1.0 ND1 A:HIS18 4.2 26.2 1.0 CG A:HIS18 4.2 25.8 1.0 ND1 A:HIS16 4.2 26.3 1.0 CG A:HIS16 4.2 23.3 1.0 CB A:ASP250 4.2 28.0 1.0 C5 A:DOR1410 4.3 38.3 1.0 C4 A:DOR1410 4.3 41.7 1.0 C6 A:DOR1410 4.3 36.5 1.0 CD2 A:HIS177 4.4 25.5 1.0 NE2 A:HIS177 4.4 27.9 1.0 CG A:MET42 4.5 27.2 1.0 O4 A:DOR1410 4.5 41.7 1.0 OH A:TYR104 4.7 29.5 1.0 N3 A:DOR1410 4.7 40.3 1.0 CA A:ASP250 4.7 27.0 1.0

Zinc binding site 3 out of 4 in the HIS257ALA Mutant of Dihydroorotase From E. Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of HIS257ALA Mutant of Dihydroorotase From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn400 b:33.3 occ:1.00 OQ2 B:KCX102 2.0 28.1 1.0 NE2 B:HIS177 2.1 28.8 1.0 ND1 B:HIS139 2.1 28.2 1.0 O5 B:NCD2410 2.2 39.0 1.0 O4 B:NCD2410 2.5 35.1 1.0 C4 B:NCD2410 2.7 37.9 1.0 CE1 B:HIS139 2.9 30.6 1.0 CE1 B:HIS177 3.0 29.0 1.0 CX B:KCX102 3.0 28.8 1.0 CD2 B:HIS177 3.1 28.7 1.0 CG B:HIS139 3.2 29.4 1.0 OQ1 B:KCX102 3.4 28.6 1.0 CB B:HIS139 3.7 29.4 1.0 ZN B:ZN401 3.8 33.7 1.0 NE2 B:HIS139 4.1 28.4 1.0 ND1 B:HIS177 4.1 28.8 1.0 NZ B:KCX102 4.2 26.8 1.0 C5 B:NCD2410 4.2 38.6 1.0 CG B:HIS177 4.2 27.3 1.0 CD2 B:HIS139 4.3 30.1 1.0 CE1 B:HIS16 4.3 28.0 1.0 N3 B:NCD2410 4.4 37.0 1.0 OG1 B:THR109 4.4 35.8 1.0 CE2 B:TYR104 4.4 30.7 1.0 CG2 B:THR109 4.5 34.2 1.0 CA B:HIS139 4.6 28.1 1.0 NE2 B:HIS16 4.6 27.2 1.0 CE B:KCX102 4.6 25.6 1.0 OD2 B:ASP250 4.7 30.2 1.0 CB B:THR109 4.8 37.0 1.0 O B:LEU222 4.8 31.1 1.0 CD2 B:TYR104 4.9 31.0 1.0

Zinc binding site 4 out of 4 in the HIS257ALA Mutant of Dihydroorotase From E. Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of HIS257ALA Mutant of Dihydroorotase From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:33.7 occ:1.00 O4 B:NCD2410 2.0 35.1 1.0 NE2 B:HIS18 2.1 27.4 1.0 OD1 B:ASP250 2.1 28.4 1.0 NE2 B:HIS16 2.1 27.2 1.0 OQ1 B:KCX102 2.2 28.6 1.0 CD2 B:HIS18 3.0 25.8 1.0 CG B:ASP250 3.0 26.8 1.0 C4 B:NCD2410 3.1 37.9 1.0 CD2 B:HIS16 3.1 26.3 1.0 CX B:KCX102 3.1 28.8 1.0 CE1 B:HIS18 3.1 28.3 1.0 CE1 B:HIS16 3.1 28.0 1.0 OD2 B:ASP250 3.4 30.2 1.0 OQ2 B:KCX102 3.5 28.1 1.0 C5 B:NCD2410 3.7 38.6 1.0 ZN B:ZN400 3.8 33.3 1.0 C6 B:NCD2410 4.1 38.2 1.0 O5 B:NCD2410 4.1 39.0 1.0 NZ B:KCX102 4.1 26.8 1.0 CG B:HIS18 4.2 26.2 1.0 ND1 B:HIS18 4.2 26.3 1.0 ND1 B:HIS16 4.2 26.2 1.0 CB B:ASP250 4.2 26.0 1.0 CG B:HIS16 4.2 25.2 1.0 CD2 B:HIS177 4.3 28.7 1.0 CG B:MET42 4.3 26.7 1.0 N3 B:NCD2410 4.5 37.0 1.0 NE2 B:HIS177 4.5 28.8 1.0 OH B:TYR104 4.7 28.9 1.0 CA B:ASP250 4.7 26.1 1.0 O61 B:NCD2410 4.8 36.0 1.0 C61 B:NCD2410 5.0 37.1 1.0

K.E.Ernberg, M.Lee, R.I.Christopherson, M.J.Maher, J.M.Guss. HIS257ALA Mutant of Dihydroorotase From E. Coli To Be Published.