Copper in PDB 8rgb: High pH (8.0) Nitrite-Bound Msox Movie Series Dataset 5 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[5.60 Mgy]

The structure of High pH (8.0) Nitrite-Bound Msox Movie Series Dataset 5 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[5.60 Mgy], PDB code: 8rgb 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)	30.00 / 1.39
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	107.24, 107.24, 107.24, 90, 90, 90
R / Rfree (%)	11.2 / 14.3

The binding sites of Copper atom in the High pH (8.0) Nitrite-Bound Msox Movie Series Dataset 5 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[5.60 Mgy] (pdb code 8rgb). 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) Nitrite-Bound Msox Movie Series Dataset 5 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[5.60 Mgy], PDB code: 8rgb:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the High pH (8.0) Nitrite-Bound Msox Movie Series Dataset 5 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[5.60 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) Nitrite-Bound Msox Movie Series Dataset 5 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[5.60 Mgy] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:16.5 occ:1.00 ND1 A:HIS89 2.0 14.8 1.0 ND1 A:HIS140 2.0 14.8 1.0 SG A:CYS130 2.2 16.2 1.0 SD A:MET145 2.5 17.7 1.0 CE1 A:HIS89 2.9 15.3 1.0 CE1 A:HIS140 3.0 15.7 1.0 CG A:HIS140 3.1 15.1 1.0 CG A:HIS89 3.1 15.2 1.0 CB A:CYS130 3.2 15.4 1.0 CE A:MET145 3.3 17.6 1.0 CB A:HIS140 3.5 14.5 1.0 CB A:HIS89 3.5 15.1 1.0 CA A:HIS89 3.8 14.5 1.0 CG A:MET145 3.9 17.3 1.0 NE2 A:HIS140 4.1 16.5 1.0 NE2 A:HIS89 4.1 15.8 1.0 O A:PRO88 4.2 16.7 1.0 CD2 A:HIS140 4.2 16.9 1.0 CD2 A:HIS89 4.2 15.1 1.0 CG A:PRO132 4.2 17.9 1.0 CB A:MET145 4.4 15.5 1.0 SD A:MET56 4.6 19.5 0.4 CA A:CYS130 4.7 13.7 1.0 CD A:PRO132 4.7 15.6 1.0 N A:ASN90 4.7 15.1 1.0 CA A:HIS140 4.7 13.3 1.0 N A:HIS89 4.8 15.9 1.0 C A:HIS89 4.9 15.5 1.0 C A:PRO88 4.9 16.2 1.0

Copper binding site 2 out of 2 in the High pH (8.0) Nitrite-Bound Msox Movie Series Dataset 5 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[5.60 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) Nitrite-Bound Msox Movie Series Dataset 5 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[5.60 Mgy] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu502 b:15.6 occ:0.95 NE2 A:HIS94 2.0 12.7 1.0 O1 A:NO2503 2.0 24.6 0.7 N A:NO2503 2.0 23.9 0.7 NE2 A:HIS129 2.1 13.7 1.0 O2 A:NO2503 2.1 26.5 0.7 CE1 A:HIS94 3.0 13.5 1.0 CD2 A:HIS129 3.0 13.9 1.0 CD2 A:HIS94 3.0 13.4 1.0 CE1 A:HIS129 3.1 14.9 1.0 O2 A:CO2509 3.6 24.4 0.4 C A:CO2509 3.9 23.5 0.4 ND1 A:HIS94 4.1 13.0 1.0 O A:HOH604 4.2 35.1 0.7 CG A:HIS94 4.2 12.2 1.0 CG A:HIS129 4.2 12.9 1.0 ND1 A:HIS129 4.2 13.8 1.0 O1 A:CO2509 4.5 19.8 0.4

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