Copper in PDB 1oe3: Atomic Resolution Structure of 'Half Apo' Nir

The structure of Atomic Resolution Structure of 'Half Apo' Nir, PDB code: 1oe3 was solved by M.J.Ellis, F.E.Dodd, G.Sawers, R.R.Eady, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.15
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	79.243, 79.243, 99.679, 90.00, 90.00, 120.00
R / Rfree (%)	11.6 / 14.8

The binding sites of Copper atom in the Atomic Resolution Structure of 'Half Apo' Nir (pdb code 1oe3). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Atomic Resolution Structure of 'Half Apo' Nir, PDB code: 1oe3:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Atomic Resolution Structure of 'Half Apo' Nir


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Atomic Resolution Structure of 'Half Apo' Nir within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:10.2 occ:0.50 ND1 A:HIS89 2.0 10.1 1.0 ND1 A:HIS139 2.1 9.4 1.0 SG A:CYS130 2.2 9.6 1.0 SD A:MET144 2.5 10.8 1.0 CE1 A:HIS89 2.9 10.0 1.0 CG A:HIS139 3.1 8.6 1.0 CG A:HIS89 3.1 8.8 1.0 CE1 A:HIS139 3.1 10.7 1.0 CB A:CYS130 3.2 9.1 1.0 CE A:MET144 3.4 11.3 1.0 CB A:HIS139 3.4 9.4 1.0 CB A:HIS89 3.5 9.4 1.0 CA A:HIS89 3.9 8.9 1.0 CG A:MET144 4.0 10.2 1.0 NE2 A:HIS89 4.1 9.6 1.0 CG A:PRO132 4.1 13.0 1.0 O A:PRO88 4.2 10.3 1.0 CD2 A:HIS89 4.2 9.1 1.0 CD2 A:HIS139 4.2 9.6 1.0 NE2 A:HIS139 4.2 9.6 1.0 SD A:MET56 4.3 10.8 1.0 CB A:MET144 4.5 8.4 1.0 CD A:PRO132 4.5 9.9 1.0 CA A:HIS139 4.6 7.8 1.0 CA A:CYS130 4.6 7.9 1.0 N A:ASN90 4.8 9.1 1.0 N A:HIS89 4.9 9.0 1.0 C A:PRO88 4.9 9.2 1.0 C A:HIS89 5.0 9.2 1.0

Copper binding site 2 out of 2 in the Atomic Resolution Structure of 'Half Apo' Nir


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Atomic Resolution Structure of 'Half Apo' Nir within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu502 b:10.4 occ:0.25 O A:HOH2253 1.9 15.2 1.0 NE2 A:HIS94 1.9 8.5 1.0 NE2 A:HIS129 2.0 12.6 1.0 CE1 A:HIS94 2.9 8.7 1.0 CD2 A:HIS129 3.0 11.8 1.0 CE1 A:HIS129 3.0 10.9 1.0 CD2 A:HIS94 3.0 8.6 1.0 OD2 A:ASP92 3.5 11.9 1.0 ND1 A:HIS94 4.0 8.0 1.0 ND1 A:HIS129 4.1 8.9 1.0 CG A:HIS94 4.1 7.2 1.0 CG A:HIS129 4.1 8.3 1.0 CG A:ASP92 4.1 10.9 1.0 OD1 A:ASP92 4.5 11.0 1.0 O A:HOH2251 4.8 11.0 1.0

M.J.Ellis, F.E.Dodd, G.Sawers, R.R.Eady, S.S.Hasnain. Atomic Resolution Structures of Native Copper Nitrite Reductase From Alcaligenes Xylosoxidans and the Active Site Mutant ASP92GLU J.Mol.Biol. V. 328 429 2003.
ISSN: ISSN 0022-2836
PubMed: 12691751
DOI: 10.1016/S0022-2836(03)00308-5