Zinc in PDB 2eg7: The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp

All present enzymatic activity of The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp:
3.5.2.3;

The structure of The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp, PDB code: 2eg7 was solved by M.Lee, M.J.Maher, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.585, 79.628, 180.652, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 23.5

The binding sites of Zinc atom in the The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp (pdb code 2eg7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp, PDB code: 2eg7:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp


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 E. Coli Dihydroorotase Complexed with Hddp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:30.4 occ:1.00 OQ1 A:KCX102 2.0 38.3 1.0 NE2 A:HIS177 2.1 37.0 1.0 O62 A:OTD410 2.1 29.6 1.0 ND1 A:HIS139 2.2 40.2 1.0 O61 A:OTD410 2.5 38.6 1.0 C61 A:OTD410 2.5 33.4 1.0 CX A:KCX102 3.0 39.0 1.0 CE1 A:HIS177 3.0 38.2 1.0 CE1 A:HIS139 3.1 36.8 1.0 CD2 A:HIS177 3.2 38.5 1.0 CG A:HIS139 3.2 38.6 1.0 OQ2 A:KCX102 3.3 39.2 1.0 ZN A:ZN401 3.5 28.4 1.0 CB A:HIS139 3.5 39.7 1.0 C6 A:OTD410 4.0 34.4 1.0 CE1 A:HIS16 4.0 38.9 1.0 NZ A:KCX102 4.1 34.6 1.0 ND1 A:HIS177 4.1 35.6 1.0 NE2 A:HIS16 4.2 40.0 1.0 NE2 A:HIS139 4.2 39.2 1.0 CE2 A:TYR104 4.2 39.3 1.0 O A:HOH589 4.2 50.5 1.0 CG A:HIS177 4.3 39.0 1.0 CD2 A:HIS139 4.3 39.6 1.0 CA A:HIS139 4.5 38.9 1.0 OD2 A:ASP250 4.5 41.3 1.0 CE A:KCX102 4.6 37.3 1.0 CD2 A:TYR104 4.8 37.9 1.0 C5 A:OTD410 4.8 31.8 1.0 OD1 A:ASP250 4.8 40.3 1.0 N1 A:OTD410 4.9 33.2 1.0

Zinc binding site 2 out of 4 in the The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp


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 E. Coli Dihydroorotase Complexed with Hddp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:28.4 occ:1.00 O62 A:OTD410 2.0 29.6 1.0 NE2 A:HIS18 2.0 37.5 1.0 OD1 A:ASP250 2.1 40.3 1.0 NE2 A:HIS16 2.1 40.0 1.0 OQ2 A:KCX102 2.2 39.2 1.0 CE1 A:HIS18 3.0 36.9 1.0 CD2 A:HIS16 3.0 38.4 1.0 CD2 A:HIS18 3.0 37.6 1.0 C61 A:OTD410 3.1 33.4 1.0 CX A:KCX102 3.1 39.0 1.0 CG A:ASP250 3.1 40.0 1.0 CE1 A:HIS16 3.2 38.9 1.0 OQ1 A:KCX102 3.4 38.3 1.0 C6 A:OTD410 3.4 34.4 1.0 ZN A:ZN400 3.5 30.4 1.0 OD2 A:ASP250 3.6 41.3 1.0 C5 A:OTD410 3.7 31.8 1.0 ND1 A:HIS18 4.1 36.7 1.0 CD2 A:HIS177 4.2 38.5 1.0 CG A:HIS18 4.2 38.7 1.0 NZ A:KCX102 4.2 34.6 1.0 O61 A:OTD410 4.2 38.6 1.0 CG A:HIS16 4.2 38.0 1.0 ND1 A:HIS16 4.2 39.0 1.0 NE2 A:HIS177 4.3 37.0 1.0 CG A:MET42 4.3 36.5 1.0 CB A:ASP250 4.3 38.4 1.0 OH A:TYR104 4.6 40.2 1.0 CA A:ASP250 4.7 38.4 1.0 N1 A:OTD410 4.8 33.2 1.0 CB A:MET42 4.9 37.8 1.0 C4 A:OTD410 5.0 34.7 1.0

Zinc binding site 3 out of 4 in the The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn400 b:35.9 occ:1.00 NE2 B:HIS18 1.9 36.9 1.0 OQ2 B:KCX102 2.1 34.6 1.0 NE2 B:HIS16 2.2 41.5 1.0 OD1 B:ASP250 2.2 37.0 1.0 O62 B:OTD410 2.3 41.7 1.0 CE1 B:HIS18 2.9 38.0 1.0 CD2 B:HIS18 2.9 37.5 1.0 CD2 B:HIS16 3.0 39.9 1.0 CX B:KCX102 3.1 37.2 1.0 CG B:ASP250 3.2 38.5 1.0 CE1 B:HIS16 3.3 41.8 1.0 C61 B:OTD410 3.3 43.3 1.0 C6 B:OTD410 3.5 42.2 1.0 OQ1 B:KCX102 3.5 37.1 1.0 C5 B:OTD410 3.6 41.7 1.0 ZN B:ZN401 3.7 38.1 1.0 OD2 B:ASP250 3.7 38.0 1.0 ND1 B:HIS18 4.0 36.3 1.0 CG B:HIS18 4.0 38.2 1.0 CD2 B:HIS177 4.1 37.9 1.0 NZ B:KCX102 4.2 35.9 1.0 CG B:HIS16 4.2 40.0 1.0 ND1 B:HIS16 4.3 42.3 1.0 CG B:MET42 4.4 35.4 1.0 CB B:ASP250 4.4 36.9 1.0 NE2 B:HIS177 4.4 39.0 1.0 O61 B:OTD410 4.5 47.0 1.0 OH B:TYR104 4.7 39.3 1.0 CA B:ASP250 4.7 37.1 1.0 N1 B:OTD410 4.9 40.9 1.0 C4 B:OTD410 4.9 41.7 1.0

Zinc binding site 4 out of 4 in the The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Crystal Structure of E. Coli Dihydroorotase Complexed with Hddp within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:38.1 occ:1.00 O62 B:OTD410 1.9 41.7 1.0 NE2 B:HIS177 1.9 39.0 1.0 OQ1 B:KCX102 2.0 37.1 1.0 ND1 B:HIS139 2.2 39.9 1.0 C61 B:OTD410 2.5 43.3 1.0 O61 B:OTD410 2.7 47.0 1.0 CE1 B:HIS177 2.9 38.4 1.0 CD2 B:HIS177 2.9 37.9 1.0 CX B:KCX102 3.0 37.2 1.0 CE1 B:HIS139 3.1 37.6 1.0 CG B:HIS139 3.2 38.3 1.0 OQ2 B:KCX102 3.3 34.6 1.0 CB B:HIS139 3.6 39.1 1.0 ZN B:ZN400 3.7 35.9 1.0 C6 B:OTD410 4.0 42.2 1.0 ND1 B:HIS177 4.0 36.2 1.0 CG B:HIS177 4.1 37.8 1.0 CE1 B:HIS16 4.1 41.8 1.0 NZ B:KCX102 4.1 35.9 1.0 NE2 B:HIS16 4.2 41.5 1.0 NE2 B:HIS139 4.2 38.5 1.0 CD2 B:HIS139 4.3 40.3 1.0 CE2 B:TYR104 4.4 38.4 1.0 CA B:HIS139 4.4 38.6 1.0 CG2 B:THR109 4.5 45.6 1.0 CE B:KCX102 4.6 35.8 1.0 OD2 B:ASP250 4.7 38.0 1.0 C5 B:OTD410 4.8 41.7 1.0 CD2 B:TYR104 4.9 37.3 1.0 OD1 B:ASP250 4.9 37.0 1.0 N1 B:OTD410 4.9 40.9 1.0 CB B:THR109 4.9 45.9 1.0 CD B:PRO223 5.0 39.3 1.0

M.Lee, C.W.Chan, S.C.Graham, R.I.Christopherson, J.M.Guss, M.J.Maher. Structures of Ligand-Free and Inhibitor Complexes of Dihydroorotase From Escherichia Coli: Implications For Loop Movement in Inhibitor Design J.Mol.Biol. V. 370 812 2007.
ISSN: ISSN 0022-2836
PubMed: 17550785
DOI: 10.1016/J.JMB.2007.05.019