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Copper in PDB 9kvl: Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite

Enzymatic activity of Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite

All present enzymatic activity of Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite:
1.7.2.1;

Protein crystallography data

The structure of Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite, PDB code: 9kvl was solved by Y.Fukuda, M.Lintuluoto, Y.Hirano, K.Kusaka, T.Inoue, T.Tamada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.70
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 115.06, 115.06, 84.483, 90, 90, 120
R / Rfree (%) 11.4 / 13.2

Copper Binding Sites:

The binding sites of Copper atom in the Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite (pdb code 9kvl). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite, PDB code: 9kvl:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in 9kvl

Go back to Copper Binding Sites List in 9kvl
Copper binding site 1 out of 3 in the Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu504

b:7.9
occ:0.93
ND1 A:HIS143 2.0 8.4 1.0
ND1 A:HIS95 2.1 9.1 1.0
SD A:MET148 2.2 11.2 1.0
CE1 A:HIS143 2.9 8.4 1.0
CE1 A:HIS95 2.9 9.1 1.0
HE1 A:HIS143 3.0 10.1 1.0
HB3 A:HIS143 3.0 9.2 1.0
HE1 A:HIS95 3.0 11.0 1.0
CG A:HIS143 3.1 7.8 1.0
HE3 A:TRP63 3.1 10.1 1.0
CG A:HIS95 3.2 8.4 1.0
CE A:MET148 3.2 12.0 1.0
HE2 A:MET148 3.2 14.4 1.0
HB3 A:HIS95 3.2 10.8 1.0
HB2 A:ALA135 3.2 12.2 1.0
HG3 A:MET148 3.4 14.1 1.0
HE1 A:MET148 3.4 14.4 1.0
HB1 A:ALA135 3.4 12.2 1.0
CG A:MET148 3.4 11.8 1.0
HB3 A:ALA135 3.5 12.2 1.0
CB A:HIS143 3.5 7.6 1.0
CB A:ALA135 3.6 10.1 1.0
CB A:HIS95 3.6 9.0 1.0
HA A:HIS95 3.7 11.1 1.0
HB2 A:MET148 3.8 10.2 1.0
HB3 A:TRP63 3.9 9.5 1.0
CE3 A:TRP63 3.9 8.4 1.0
HA A:HIS143 4.0 9.0 1.0
NE2 A:HIS143 4.0 9.5 1.0
CB A:MET148 4.0 8.5 1.0
NE2 A:HIS95 4.1 9.6 1.0
HE3 A:MET148 4.1 14.4 1.0
HB3 A:MET148 4.1 10.2 1.0
CD2 A:HIS143 4.2 8.8 1.0
HG2 A:MET148 4.2 14.1 1.0
CD2 A:HIS95 4.2 8.3 1.0
CA A:HIS95 4.2 9.3 1.0
HB2 A:HIS143 4.3 9.2 1.0
HZ3 A:TRP63 4.3 11.4 1.0
HB A:THR137 4.3 11.2 1.0
CA A:HIS143 4.3 7.5 1.0
D A:SER96 4.4 11.7 0.4
H A:SER96 4.4 11.7 0.6
O A:PRO94 4.5 9.9 1.0
HB2 A:HIS95 4.5 10.8 1.0
CZ3 A:TRP63 4.5 9.5 1.0
CB A:TRP63 4.7 7.9 1.0
HB2 A:TRP63 4.8 9.5 1.0
DE2 A:HIS143 4.8 11.4 1.0
DE2 A:HIS95 4.8 11.5 1.0
CD2 A:TRP63 4.9 8.9 1.0
O A:HIS143 5.0 8.3 1.0

Copper binding site 2 out of 3 in 9kvl

Go back to Copper Binding Sites List in 9kvl
Copper binding site 2 out of 3 in the Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu505

b:7.8
occ:0.95
O2 A:NO2503 1.8 12.5 0.7
NE2 A:HIS134 2.0 8.2 1.0
NE2 A:HIS100 2.0 7.0 1.0
O A:DOD602 2.3 11.1 0.2
O A:DOD845 2.3 32.9 0.3
D2 A:DOD845 2.4 39.5 0.3
D1 A:DOD602 2.4 13.3 0.2
O1 A:NO2503 2.7 13.7 0.7
N A:NO2503 2.7 14.4 0.7
D1 A:DOD845 2.9 39.5 0.3
CE1 A:HIS100 3.0 7.1 1.0
CE1 A:HIS134 3.0 7.6 1.0
CD2 A:HIS134 3.0 7.4 1.0
CD2 A:HIS100 3.1 6.8 1.0
HE1 A:HIS100 3.1 8.5 1.0
HD2 A:HIS134 3.2 8.9 1.0
HE1 A:HIS134 3.2 9.1 1.0
HD2 A:HIS100 3.3 8.2 1.0
OD2 A:ASP98 3.7 10.5 1.0
ND1 A:HIS100 4.1 7.7 1.0
ND1 A:HIS134 4.1 8.7 1.0
CG A:HIS134 4.1 7.4 1.0
CG A:HIS100 4.2 7.2 1.0
D2 A:DOD618 4.3 12.9 0.5
CG A:ASP98 4.4 8.9 1.0
D2 A:DOD767 4.4 13.3 1.0
OD1 A:ASP98 4.6 9.8 1.0
O A:DOD767 4.7 11.1 1.0
D1 A:DOD618 4.7 12.9 0.5
HE2 A:MET132 4.8 8.5 1.0
HB3 A:SER274 4.8 7.5 1.0
O A:DOD618 4.8 10.8 0.5
HD1 A:HIS134 4.9 10.4 0.1
HD12 A:ILE144 4.9 10.3 1.0
DD1 A:HIS100 4.9 9.3 1.0
DD1 A:HIS134 4.9 10.4 0.9
DG A:SER274 5.0 8.7 0.2
HB3 A:ASP98 5.0 9.7 1.0

Copper binding site 3 out of 3 in 9kvl

Go back to Copper Binding Sites List in 9kvl
Copper binding site 3 out of 3 in the Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Neutron and X-Ray Joint Refined Structure of A Copper-Containing Nitrite Reductase (C135A Mutant) in Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu506

b:8.0
occ:0.88
ND1 A:HIS83 2.0 8.9 1.0
NE2 A:HIS42 2.0 8.6 1.0
O A:DOD836 2.2 11.2 1.0
D1 A:DOD836 2.8 13.5 1.0
CE1 A:HIS83 2.8 8.4 1.0
D2 A:DOD836 2.9 13.5 1.0
HE1 A:HIS83 2.9 10.1 1.0
CE1 A:HIS42 3.0 10.0 1.0
CD2 A:HIS42 3.0 8.8 1.0
CG A:HIS83 3.1 8.8 1.0
HE1 A:HIS42 3.1 12.1 1.0
HD2 A:HIS42 3.3 10.5 1.0
HB2 A:HIS83 3.4 10.3 1.0
HB3 A:HIS83 3.4 10.3 1.0
HG22 A:VAL36 3.6 12.1 1.0
CB A:HIS83 3.6 8.6 1.0
NE2 A:HIS83 4.0 10.2 1.0
ND1 A:HIS42 4.1 10.3 1.0
CG A:HIS42 4.2 9.2 1.0
CD2 A:HIS83 4.2 10.0 1.0
O A:DOD876 4.4 11.2 0.5
O A:DOD876 4.4 12.8 0.5
CG2 A:VAL36 4.6 10.1 1.0
O A:DOD918 4.6 61.5 1.0
D1 A:DOD876 4.6 13.5 0.5
HG11 A:VAL36 4.6 11.7 1.0
D2 A:DOD876 4.7 15.4 0.5
D2 A:DOD876 4.7 13.5 0.5
DE2 A:HIS83 4.8 12.3 1.0
DD1 A:HIS42 4.9 12.4 1.0
HG21 A:VAL36 4.9 12.1 1.0
HG23 A:VAL36 4.9 12.1 1.0
D2 A:DOD918 5.0 73.8 1.0

Reference:

Y.Fukuda, M.Lintuluoto, Y.Hirano, K.Kusaka, T.Inoue, T.Tamada. Structural Basis of Cuproenzyme Nitrite Reduction at the Level of A Single Hydrogen Atom. J.Biol.Chem. 10290 2025.
ISSN: ESSN 1083-351X
PubMed: 40436316
DOI: 10.1016/J.JBC.2025.110290
Page generated: Mon Jul 14 10:02:28 2025

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