Copper in PDB 8rfy: High pH (8.0) As-Isolated Msox Movie Series Dataset 30 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[20.40 Mgy]

The structure of High pH (8.0) As-Isolated Msox Movie Series Dataset 30 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[20.40 Mgy], PDB code: 8rfy was solved by S.L.Rose, F.M.Ferroni, S.V.Antonyuk, 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)	35.00 / 1.79
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	107.62, 107.62, 107.62, 90, 90, 90
R / Rfree (%)	17 / 21

The binding sites of Copper atom in the High pH (8.0) As-Isolated Msox Movie Series Dataset 30 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[20.40 Mgy] (pdb code 8rfy). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the High pH (8.0) As-Isolated Msox Movie Series Dataset 30 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[20.40 Mgy], PDB code: 8rfy:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the High pH (8.0) As-Isolated Msox Movie Series Dataset 30 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[20.40 Mgy]


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of High pH (8.0) As-Isolated Msox Movie Series Dataset 30 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[20.40 Mgy] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu401 b:28.6 occ:1.00 ND1 A:HIS89 2.0 22.0 1.0 ND1 A:HIS140 2.0 28.5 1.0 SG A:CYS130 2.3 26.9 1.0 SD A:MET145 2.5 27.1 1.0 CE1 A:HIS89 2.9 22.8 1.0 CE1 A:HIS140 3.0 30.2 1.0 CG A:HIS89 3.1 23.1 1.0 CE A:MET145 3.1 27.6 1.0 CG A:HIS140 3.1 27.5 1.0 CB A:CYS130 3.2 23.8 1.0 CB A:HIS89 3.4 23.7 1.0 CB A:HIS140 3.5 23.9 1.0 CA A:HIS89 3.8 26.0 1.0 CG A:MET145 4.0 27.5 1.0 NE2 A:HIS89 4.1 24.2 1.0 NE2 A:HIS140 4.1 29.9 1.0 CD2 A:HIS140 4.2 28.2 1.0 CD2 A:HIS89 4.2 22.1 1.0 CG A:PRO132 4.2 32.2 1.0 O A:PRO88 4.3 28.8 1.0 CB A:MET145 4.5 22.3 1.0 CE A:MET56 4.6 19.5 0.5 SD A:MET56 4.6 49.3 0.5 N A:ASN90 4.7 25.9 1.0 CA A:CYS130 4.7 23.9 1.0 CD A:PRO132 4.7 31.4 1.0 CA A:HIS140 4.8 24.1 1.0 C A:HIS89 4.8 26.4 1.0 N A:HIS89 4.9 26.9 1.0

Copper binding site 2 out of 2 in the High pH (8.0) As-Isolated Msox Movie Series Dataset 30 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[20.40 Mgy]


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of High pH (8.0) As-Isolated Msox Movie Series Dataset 30 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[20.40 Mgy] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu402 b:26.1 occ:0.95 O A:HOH670 1.8 40.3 1.0 NE2 A:HIS94 2.0 20.4 1.0 NE2 A:HIS129 2.1 25.0 1.0 CE1 A:HIS94 2.9 21.3 1.0 CD2 A:HIS129 3.0 24.8 1.0 CE1 A:HIS129 3.1 26.1 1.0 CD2 A:HIS94 3.1 20.4 1.0 ND1 A:HIS94 4.1 22.0 1.0 CG A:HIS129 4.2 22.4 1.0 CG A:HIS94 4.2 22.7 1.0 ND1 A:HIS129 4.2 25.5 1.0 O A:HOH732 4.4 46.6 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