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Copper in PDB 8rfw: High pH (8.0) As-Isolated Msox Movie Series Dataset 2 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[1.36 Mgy]

Protein crystallography data

The structure of High pH (8.0) As-Isolated Msox Movie Series Dataset 2 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[1.36 Mgy], PDB code: 8rfw 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 / 1.33
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 107.1, 107.1, 107.1, 90, 90, 90
R / Rfree (%) 13.6 / 17.7

Copper Binding Sites:

The binding sites of Copper atom in the High pH (8.0) As-Isolated Msox Movie Series Dataset 2 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[1.36 Mgy] (pdb code 8rfw). 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 2 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[1.36 Mgy], PDB code: 8rfw:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 8rfw

Go back to Copper Binding Sites List in 8rfw
Copper binding site 1 out of 2 in the High pH (8.0) As-Isolated Msox Movie Series Dataset 2 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[1.36 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 2 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[1.36 Mgy] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu401

b:16.3
occ:1.00
ND1 A:HIS140 2.0 14.1 1.0
ND1 A:HIS89 2.0 14.8 1.0
SG A:CYS130 2.2 15.9 1.0
SD A:MET145 2.5 16.6 1.0
CE1 A:HIS140 3.0 15.8 1.0
CE1 A:HIS89 3.0 14.6 1.0
CG A:HIS140 3.1 15.4 1.0
CG A:HIS89 3.1 14.3 1.0
CB A:CYS130 3.2 15.3 1.0
CE A:MET145 3.3 16.5 1.0
CB A:HIS140 3.5 14.9 1.0
CB A:HIS89 3.5 14.8 1.0
CA A:HIS89 3.8 13.9 1.0
CG A:MET145 4.0 16.8 1.0
NE2 A:HIS140 4.1 17.9 1.0
NE2 A:HIS89 4.1 15.0 1.0
CD2 A:HIS140 4.2 18.2 1.0
O A:PRO88 4.2 17.9 1.0
CD2 A:HIS89 4.2 14.9 1.0
CG A:PRO132 4.2 17.3 1.0
CB A:MET145 4.4 14.7 1.0
CD A:PRO132 4.6 16.7 1.0
SD A:MET56 4.6 20.0 0.5
CA A:CYS130 4.6 14.0 1.0
N A:ASN90 4.7 15.1 1.0
CA A:HIS140 4.7 13.5 1.0
C A:HIS89 4.8 15.6 1.0
N A:HIS89 4.9 16.0 1.0
C A:PRO88 4.9 16.8 1.0

Copper binding site 2 out of 2 in 8rfw

Go back to Copper Binding Sites List in 8rfw
Copper binding site 2 out of 2 in the High pH (8.0) As-Isolated Msox Movie Series Dataset 2 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[1.36 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 2 of the Copper Nitrite Reductase From Bradyrhizobium Sp. ORS375 (Two-Domain)[1.36 Mgy] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu402

b:15.6
occ:0.95
O A:HOH764 1.9 27.9 1.0
NE2 A:HIS94 2.0 13.6 1.0
NE2 A:HIS129 2.0 13.7 1.0
O A:HOH794 2.3 31.7 0.5
CE1 A:HIS94 3.0 13.9 1.0
CD2 A:HIS129 3.0 13.8 1.0
CD2 A:HIS94 3.1 13.3 1.0
CE1 A:HIS129 3.1 15.1 1.0
OD2 A:ASP92 3.6 18.4 0.2
O A:HOH530 4.1 30.3 0.5
ND1 A:HIS94 4.1 12.5 1.0
CG A:HIS129 4.2 13.8 1.0
ND1 A:HIS129 4.2 13.7 1.0
CG A:HIS94 4.2 11.8 1.0
O A:HOH798 4.4 27.0 0.8
CG A:ASP92 4.4 17.2 0.2
OD1 A:ASP92 4.8 17.3 0.2

Reference:

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
Page generated: Mon Jul 14 09:22:07 2025

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