Copper in PDB 8r8s: As Isolated Msox Movie Series Dataset 1 (0.? Mgy) of the Copper Nitrite Reductase (Nirk) From Bradyrhizobium Japonicum USDA110

All present enzymatic activity of As Isolated Msox Movie Series Dataset 1 (0.? Mgy) of the Copper Nitrite Reductase (Nirk) From Bradyrhizobium Japonicum USDA110:
1.7.2.1;

The structure of As Isolated Msox Movie Series Dataset 1 (0.? Mgy) of the Copper Nitrite Reductase (Nirk) From Bradyrhizobium Japonicum USDA110, PDB code: 8r8s was solved by F.M.Ferroni, S.V.Antonyuk, S.L.Rose, 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)	52.00 / 1.11
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	103.89, 103.89, 64.49, 90, 90, 120
R / Rfree (%)	11.7 / 14.1

The binding sites of Copper atom in the As Isolated Msox Movie Series Dataset 1 (0.? Mgy) of the Copper Nitrite Reductase (Nirk) From Bradyrhizobium Japonicum USDA110 (pdb code 8r8s). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the As Isolated Msox Movie Series Dataset 1 (0.? Mgy) of the Copper Nitrite Reductase (Nirk) From Bradyrhizobium Japonicum USDA110, PDB code: 8r8s:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the As Isolated Msox Movie Series Dataset 1 (0.? Mgy) of the Copper Nitrite Reductase (Nirk) From Bradyrhizobium Japonicum USDA110


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of As Isolated Msox Movie Series Dataset 1 (0.? Mgy) of the Copper Nitrite Reductase (Nirk) From Bradyrhizobium Japonicum USDA110 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu401 b:12.7 occ:1.00 ND1 A:HIS89 2.0 11.0 1.0 ND1 A:HIS140 2.0 11.6 1.0 SG A:CYS130 2.2 12.1 1.0 SD A:MET145 2.5 11.0 0.8 SD A:MET145 2.7 10.4 0.2 CE1 A:HIS89 3.0 11.5 1.0 CE1 A:HIS140 3.0 12.4 1.0 CG A:HIS89 3.1 11.7 1.0 CG A:HIS140 3.1 11.2 1.0 CB A:CYS130 3.2 10.3 1.0 CE A:MET145 3.3 11.8 0.8 CE A:MET145 3.4 10.1 0.2 CB A:HIS140 3.5 10.4 1.0 CB A:HIS89 3.5 12.4 1.0 CA A:HIS89 3.8 12.1 1.0 CG A:MET145 4.0 11.6 0.8 CG A:MET145 4.0 9.2 0.2 NE2 A:HIS140 4.1 13.3 1.0 CG A:PRO132 4.1 12.6 0.5 NE2 A:HIS89 4.2 12.1 1.0 O A:PRO88 4.2 13.5 1.0 CD2 A:HIS140 4.2 13.9 1.0 CD2 A:HIS89 4.2 12.0 1.0 CG A:PRO132 4.2 13.5 0.5 CB A:MET145 4.5 9.5 0.2 CB A:MET145 4.5 10.8 0.8 CD A:PRO132 4.5 10.9 0.5 SD A:MET56 4.6 13.2 0.5 N A:ASN90 4.6 11.8 1.0 CA A:CYS130 4.6 10.1 1.0 CD A:PRO132 4.7 12.0 0.5 CA A:HIS140 4.7 10.3 1.0 C A:HIS89 4.8 12.5 1.0 N A:HIS89 4.8 12.3 1.0 C A:PRO88 4.9 12.7 1.0 CE A:MET56 5.0 12.8 0.5

Copper binding site 2 out of 2 in the As Isolated Msox Movie Series Dataset 1 (0.? Mgy) of the Copper Nitrite Reductase (Nirk) From Bradyrhizobium Japonicum USDA110


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of As Isolated Msox Movie Series Dataset 1 (0.? Mgy) of the Copper Nitrite Reductase (Nirk) From Bradyrhizobium Japonicum USDA110 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu402 b:10.7 occ:1.00 O A:HOH523 1.9 13.6 0.6 NE2 A:HIS94 1.9 9.8 1.0 NE2 A:HIS129 2.0 10.4 1.0 O A:HOH808 2.2 13.5 0.3 O A:HOH523 2.2 14.5 0.4 CE1 A:HIS94 2.9 9.8 1.0 CD2 A:HIS129 3.0 10.3 1.0 CD2 A:HIS94 3.1 8.8 1.0 CE1 A:HIS129 3.1 10.4 1.0 OD2 A:ASP92 3.7 15.5 0.8 O A:HOH507 3.9 17.9 0.4 O A:HOH507 4.0 24.0 0.6 O A:HOH501 4.0 23.1 0.2 ND1 A:HIS94 4.1 8.9 1.0 CG A:HIS129 4.1 9.2 1.0 CG A:HIS94 4.2 8.5 1.0 ND1 A:HIS129 4.2 10.0 1.0 CG A:ASP92 4.3 12.8 0.8 OD1 A:ASP92 4.6 14.1 0.8 O A:HOH762 5.0 16.8 1.0

S.L.Rose, F.Martin Ferroni, S.Horrell, C.Dante Brondino, R.R.Eady, S.Jaho, M.A.Hough, R.L.Owen, S.V.Antonyuk, S.Samar Hasnain. Spectroscopically Validated pH-Dependent Msox Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol. 68706 2024.
ISSN: ESSN 1089-8638
PubMed: 39002715
DOI: 10.1016/J.JMB.2024.168706