Copper in PDB 2bwi: Atomic Resolution Structure of Nitrite -Soaked Achromobacter Cycloclastes Cu Nitrite Reductase

All present enzymatic activity of Atomic Resolution Structure of Nitrite -Soaked Achromobacter Cycloclastes Cu Nitrite Reductase:
1.7.2.1;

The structure of Atomic Resolution Structure of Nitrite -Soaked Achromobacter Cycloclastes Cu Nitrite Reductase, PDB code: 2bwi was solved by S.V.Antonyuk, R.W.Strange, 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)	30.00 / 1.1
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	95.224, 95.224, 95.224, 90.00, 90.00, 90.00
R / Rfree (%)	12 / 14.5

The binding sites of Copper atom in the Atomic Resolution Structure of Nitrite -Soaked Achromobacter Cycloclastes Cu Nitrite Reductase (pdb code 2bwi). 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 Nitrite -Soaked Achromobacter Cycloclastes Cu Nitrite Reductase, PDB code: 2bwi:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Atomic Resolution Structure of Nitrite -Soaked Achromobacter Cycloclastes Cu Nitrite Reductase


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 Nitrite -Soaked Achromobacter Cycloclastes Cu Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:10.4 occ:1.00 ND1 A:HIS145 2.0 10.5 1.0 ND1 A:HIS95 2.0 10.1 1.0 SG A:CYS136 2.2 10.9 1.0 SD A:MET150 2.5 10.4 1.0 CE1 A:HIS145 3.0 10.4 1.0 CE1 A:HIS95 3.0 10.3 1.0 CG A:HIS95 3.1 9.8 1.0 CG A:HIS145 3.1 9.4 1.0 CB A:CYS136 3.2 9.8 1.0 CE A:MET150 3.3 10.8 1.0 CB A:HIS95 3.5 10.2 1.0 CB A:HIS145 3.6 9.5 1.0 CG A:MET150 3.9 9.4 1.0 CA A:HIS95 3.9 9.9 1.0 NE2 A:HIS145 4.1 11.2 1.0 NE2 A:HIS95 4.2 10.3 1.0 CD2 A:HIS145 4.2 11.1 1.0 CD2 A:HIS95 4.2 10.9 1.0 O A:LEU94 4.2 11.9 1.0 CG A:PRO138 4.3 11.7 1.0 CB A:MET150 4.4 9.5 1.0 SD A:MET62 4.5 11.5 1.0 CA A:CYS136 4.7 9.1 1.0 CD A:PRO138 4.7 10.1 1.0 N A:ASN96 4.7 10.1 1.0 CA A:HIS145 4.8 9.7 1.0 CB A:MET62 4.9 10.6 1.0 N A:HIS95 4.9 10.5 1.0 C A:HIS95 4.9 10.5 1.0 C A:LEU94 5.0 11.7 1.0

Copper binding site 2 out of 2 in the Atomic Resolution Structure of Nitrite -Soaked Achromobacter Cycloclastes Cu Nitrite Reductase


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 Nitrite -Soaked Achromobacter Cycloclastes Cu Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu502 b:10.3 occ:0.90 O2 A:NO2508 2.0 17.1 0.5 O A:HOH2476 2.0 12.7 0.5 NE2 A:HIS100 2.0 8.9 1.0 NE2 A:HIS135 2.1 11.0 1.0 N A:NO2508 2.2 16.9 0.5 O1 A:NO2508 2.2 18.4 0.5 CE1 A:HIS100 3.0 9.2 1.0 CD2 A:HIS135 3.0 10.3 1.0 CE1 A:HIS135 3.1 9.7 1.0 CD2 A:HIS100 3.1 8.9 1.0 OD2 A:ASP98 3.8 12.6 0.5 ND1 A:HIS100 4.2 9.1 1.0 ND1 A:HIS135 4.2 9.7 1.0 CG A:HIS135 4.2 9.2 1.0 CG A:HIS100 4.2 8.8 1.0 O A:HOH2174 4.3 12.1 0.4 O A:HOH2477 4.3 21.2 0.5 CG A:ASP98 4.4 9.7 0.5 OD1 A:ASP98 4.7 9.9 0.5 OD2 A:ASP98 5.0 14.1 0.5

S.V.Antonyuk, R.W.Strange, G.Sawers, R.R.Eady, S.S.Hasnain. Atomic Resolution Structures of Resting-State, Substrate- and Product-Complexed Cu-Nitrite Reductase Provide Insight Into Catalytic Mechanism Proc.Natl.Acad.Sci.Usa V. 102 12041 2005.
ISSN: ISSN 0027-8424
PubMed: 16093314
DOI: 10.1073/PNAS.0504207102