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
|