Copper in PDB 8rgc: High pH (8.0) Nitrite-Bound Msox Movie Series Dataset 10 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[11.20 Mgy]

The structure of High pH (8.0) Nitrite-Bound Msox Movie Series Dataset 10 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[11.20 Mgy], PDB code: 8rgc 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 / 1.55
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	107.31, 107.31, 107.31, 90, 90, 90
R / Rfree (%)	14.6 / 17.1

The binding sites of Copper atom in the High pH (8.0) Nitrite-Bound Msox Movie Series Dataset 10 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[11.20 Mgy] (pdb code 8rgc). 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 10 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[11.20 Mgy], PDB code: 8rgc:
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 10 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[11.20 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 10 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[11.20 Mgy] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:20.5 occ:1.00 ND1 A:HIS140 2.0 20.2 1.0 ND1 A:HIS89 2.1 17.2 1.0 SG A:CYS130 2.2 20.1 1.0 SD A:MET145 2.5 22.4 1.0 CE1 A:HIS89 2.9 18.2 1.0 CE1 A:HIS140 3.0 20.3 1.0 CG A:HIS140 3.0 21.3 1.0 CG A:HIS89 3.2 19.5 1.0 CB A:CYS130 3.2 20.3 1.0 CE A:MET145 3.2 21.7 1.0 CB A:HIS140 3.5 18.2 1.0 CB A:HIS89 3.5 17.8 1.0 CA A:HIS89 3.8 17.4 1.0 CG A:MET145 3.9 21.8 1.0 NE2 A:HIS140 4.1 20.4 1.0 NE2 A:HIS89 4.1 18.6 1.0 CD2 A:HIS140 4.1 21.4 1.0 CG A:PRO132 4.2 22.4 1.0 O A:PRO88 4.2 19.4 1.0 CD2 A:HIS89 4.2 18.0 1.0 CB A:MET145 4.4 19.1 1.0 CE A:MET56 4.5 14.7 0.6 CA A:CYS130 4.6 18.0 1.0 N A:ASN90 4.7 17.8 1.0 CD A:PRO132 4.7 19.8 1.0 CA A:HIS140 4.8 17.5 1.0 C A:HIS89 4.8 19.1 1.0 N A:HIS89 4.8 19.5 1.0 C A:PRO88 5.0 19.7 1.0 CE A:MET56 5.0 29.2 0.4

Copper binding site 2 out of 2 in the High pH (8.0) Nitrite-Bound Msox Movie Series Dataset 10 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[11.20 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 10 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[11.20 Mgy] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu502 b:19.5 occ:0.95 N A:NO2503 2.0 32.4 0.7 O1 A:NO2503 2.0 29.7 0.7 NE2 A:HIS94 2.0 16.1 1.0 O2 A:NO2503 2.0 34.5 0.7 NE2 A:HIS129 2.1 18.4 1.0 CE1 A:HIS94 3.0 17.0 1.0 CD2 A:HIS94 3.1 17.5 1.0 CD2 A:HIS129 3.1 17.5 1.0 CE1 A:HIS129 3.1 18.1 1.0 O2 A:CO2509 3.7 33.7 0.4 C A:CO2509 4.0 31.3 0.4 ND1 A:HIS94 4.1 17.5 1.0 O A:HOH899 4.2 33.5 0.5 CG A:HIS94 4.2 15.3 1.0 CG A:HIS129 4.2 16.8 1.0 ND1 A:HIS129 4.3 16.8 1.0 O1 A:CO2509 4.5 25.1 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