Copper in PDB 2a3t: Cu-Containing Nitrite Reductase

All present enzymatic activity of Cu-Containing Nitrite Reductase:
1.7.2.1;

The structure of Cu-Containing Nitrite Reductase, PDB code: 2a3t was solved by F.Jacobson, H.Guo, K.Olesen, M.Okvist, R.Neutze, L.Sjolin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.50 / 1.85
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	72.436, 72.436, 148.089, 90.00, 90.00, 120.00
R / Rfree (%)	14.9 / 17.6

The structure of Cu-Containing Nitrite Reductase also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Copper atom in the Cu-Containing Nitrite Reductase (pdb code 2a3t). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Cu-Containing Nitrite Reductase, PDB code: 2a3t:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Cu-Containing Nitrite Reductase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Cu-Containing Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu401 b:24.7 occ:1.00 ND1 A:HIS177 2.1 22.9 1.0 ND1 A:HIS126 2.2 16.7 1.0 SG A:CYS167 2.2 20.1 1.0 SD A:MET182 2.4 24.9 1.0 CE1 A:HIS177 3.0 22.9 1.0 CE1 A:HIS126 3.1 20.7 1.0 CB A:CYS167 3.2 19.0 1.0 CG A:HIS177 3.2 20.1 1.0 CG A:HIS126 3.2 19.3 1.0 CE A:MET182 3.4 24.3 1.0 CB A:HIS126 3.5 19.2 1.0 CB A:HIS177 3.6 18.0 1.0 CA A:HIS126 3.8 19.2 1.0 CG A:MET182 3.9 23.6 1.0 NE2 A:HIS177 4.1 23.4 1.0 CG A:PRO169 4.2 23.7 1.0 O A:PRO125 4.2 19.8 1.0 CD2 A:HIS177 4.2 23.7 1.0 NE2 A:HIS126 4.3 18.0 1.0 CD2 A:HIS126 4.3 17.0 1.0 CB A:MET182 4.4 18.2 1.0 CA A:CYS167 4.6 18.5 1.0 N A:ASN127 4.6 18.4 1.0 CD A:PRO169 4.7 23.3 1.0 SD A:MET93 4.8 22.7 0.5 CA A:HIS177 4.8 17.4 1.0 C A:HIS126 4.8 19.0 1.0 N A:HIS126 4.9 19.9 1.0 C A:PRO125 5.0 21.1 1.0 CE A:MET93 5.0 22.2 0.5 CE A:MET93 5.0 25.0 0.5

Copper binding site 2 out of 2 in the Cu-Containing Nitrite Reductase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Cu-Containing Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu402 b:24.4 occ:1.00 NE2 A:HIS131 2.0 15.5 1.0 NE2 A:HIS166 2.1 22.9 1.0 CE1 A:HIS131 2.9 14.3 1.0 CD2 A:HIS166 3.0 21.9 1.0 CE1 A:HIS166 3.1 23.2 1.0 CD2 A:HIS131 3.1 13.8 1.0 OD2 A:ASP129 3.5 27.0 1.0 ND1 A:HIS131 4.1 13.4 1.0 CG A:HIS166 4.1 19.6 1.0 ND1 A:HIS166 4.2 19.1 1.0 CG A:HIS131 4.2 13.5 1.0 CG A:ASP129 4.3 21.9 1.0 OD1 A:ASP129 4.7 24.2 1.0

F.Jacobson, H.Guo, K.Olesen, M.Okvist, R.Neutze, L.Sjolin. Structures of the Oxidized and Reduced Forms of Nitrite Reductase From Rhodobacter Sphaeroides 2.4.3 at High pH: Changes in the Interactions of the Type 2 Copper. Acta Crystallogr.,Sect.D V. 61 1190 2005.
ISSN: ISSN 0907-4449
PubMed: 16131751
DOI: 10.1107/S0907444905017488