Copper in PDB 9kwv: Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite
Enzymatic activity of Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite
All present enzymatic activity of Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite:
1.7.2.1;
Protein crystallography data
The structure of Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite, PDB code: 9kwv
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)
|
28.84 /
0.99
|
Space group
|
H 3
|
Cell size a, b, c (Å), α, β, γ (°)
|
115.371,
115.371,
84.336,
90,
90,
120
|
R / Rfree (%)
|
10.7 /
11.7
|
Other elements in 9kwv:
The structure of Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite also contains other interesting chemical elements:
Copper Binding Sites:
The binding sites of Copper atom in the Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite
(pdb code 9kwv). This binding sites where shown within
5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the
Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite, PDB code: 9kwv:
Jump to Copper binding site number:
1;
2;
3;
4;
5;
6;
Copper binding site 1 out
of 6 in 9kwv
Go back to
Copper Binding Sites List in 9kwv
Copper binding site 1 out
of 6 in the Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase 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 Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu401
b:9.8
occ:1.00
|
ND1
|
A:HIS143
|
2.0
|
9.6
|
1.0
|
ND1
|
A:HIS95
|
2.1
|
9.8
|
1.0
|
SD
|
A:MET148
|
2.2
|
13.7
|
1.0
|
CE1
|
A:HIS143
|
2.8
|
10.3
|
1.0
|
CE1
|
A:HIS95
|
2.9
|
10.3
|
1.0
|
HE1
|
A:HIS143
|
3.0
|
12.3
|
1.0
|
HB3
|
A:HIS143
|
3.0
|
11.1
|
1.0
|
HE1
|
A:HIS95
|
3.0
|
12.4
|
1.0
|
CG
|
A:HIS143
|
3.1
|
9.2
|
1.0
|
CG
|
A:HIS95
|
3.2
|
9.6
|
1.0
|
HE3
|
A:TRP63
|
3.2
|
11.9
|
1.0
|
HB3
|
A:HIS95
|
3.3
|
12.2
|
1.0
|
CE
|
A:MET148
|
3.3
|
15.5
|
1.0
|
HB2
|
A:ALA135
|
3.3
|
14.7
|
1.0
|
HE1
|
A:MET148
|
3.4
|
18.6
|
1.0
|
HG3
|
A:MET148
|
3.4
|
15.6
|
1.0
|
HB1
|
A:ALA135
|
3.4
|
14.7
|
1.0
|
CG
|
A:MET148
|
3.4
|
13.0
|
1.0
|
HE3
|
A:MET148
|
3.4
|
18.6
|
1.0
|
HB3
|
A:ALA135
|
3.5
|
14.7
|
1.0
|
CB
|
A:HIS143
|
3.5
|
9.2
|
1.0
|
CB
|
A:ALA135
|
3.6
|
12.2
|
1.0
|
HA
|
A:HIS95
|
3.7
|
12.0
|
1.0
|
CB
|
A:HIS95
|
3.7
|
10.2
|
1.0
|
HB2
|
A:MET148
|
3.9
|
12.3
|
1.0
|
HB3
|
A:TRP63
|
3.9
|
11.5
|
1.0
|
CE3
|
A:TRP63
|
4.0
|
9.9
|
1.0
|
HA
|
A:HIS143
|
4.0
|
10.7
|
1.0
|
NE2
|
A:HIS143
|
4.0
|
10.0
|
1.0
|
CB
|
A:MET148
|
4.0
|
10.2
|
1.0
|
HB3
|
A:MET148
|
4.1
|
12.3
|
1.0
|
NE2
|
A:HIS95
|
4.1
|
10.4
|
1.0
|
HE2
|
A:MET148
|
4.1
|
18.6
|
1.0
|
CD2
|
A:HIS143
|
4.1
|
9.9
|
1.0
|
HG2
|
A:MET148
|
4.2
|
15.6
|
1.0
|
CD2
|
A:HIS95
|
4.2
|
10.4
|
1.0
|
CA
|
A:HIS95
|
4.2
|
10.0
|
1.0
|
HB2
|
A:HIS143
|
4.3
|
11.1
|
1.0
|
HZ3
|
A:TRP63
|
4.3
|
12.9
|
1.0
|
CA
|
A:HIS143
|
4.4
|
8.9
|
1.0
|
H
|
A:SER96
|
4.4
|
11.7
|
1.0
|
HB
|
A:THR137
|
4.4
|
13.4
|
1.0
|
O
|
A:PRO94
|
4.5
|
10.8
|
1.0
|
HB2
|
A:HIS95
|
4.5
|
12.2
|
1.0
|
CZ3
|
A:TRP63
|
4.6
|
10.8
|
1.0
|
CB
|
A:TRP63
|
4.7
|
9.6
|
1.0
|
HE2
|
A:HIS143
|
4.8
|
12.0
|
1.0
|
HB2
|
A:TRP63
|
4.8
|
11.5
|
1.0
|
HE2
|
A:HIS95
|
4.8
|
12.5
|
1.0
|
CD2
|
A:TRP63
|
4.9
|
9.8
|
1.0
|
O
|
A:HIS143
|
5.0
|
9.3
|
1.0
|
|
Copper binding site 2 out
of 6 in 9kwv
Go back to
Copper Binding Sites List in 9kwv
Copper binding site 2 out
of 6 in the Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase 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 Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu402
b:9.5
occ:0.98
|
O2
|
A:NO2404
|
1.9
|
13.0
|
0.2
|
O1
|
A:NO2404
|
1.9
|
9.2
|
0.3
|
NE2
|
A:HIS100
|
2.0
|
8.6
|
1.0
|
NE2
|
A:HIS134
|
2.0
|
9.1
|
1.0
|
N
|
A:NO2404
|
2.2
|
13.8
|
0.2
|
CL
|
A:CL410
|
2.2
|
26.5
|
0.2
|
O2
|
A:NO2404
|
2.2
|
9.0
|
0.3
|
N
|
A:NO2404
|
2.3
|
14.2
|
0.2
|
N
|
A:NO2404
|
2.5
|
9.4
|
0.3
|
O
|
A:HOH515
|
2.7
|
16.4
|
0.3
|
CE1
|
A:HIS100
|
3.0
|
8.2
|
1.0
|
O1
|
A:NO2404
|
3.0
|
13.2
|
0.2
|
CD2
|
A:HIS134
|
3.0
|
8.7
|
1.0
|
CE1
|
A:HIS134
|
3.0
|
9.1
|
1.0
|
CD2
|
A:HIS100
|
3.1
|
8.5
|
1.0
|
O2
|
A:NO2404
|
3.1
|
14.7
|
0.2
|
HE1
|
A:HIS100
|
3.1
|
9.9
|
1.0
|
HD2
|
A:HIS134
|
3.2
|
10.4
|
1.0
|
HE1
|
A:HIS134
|
3.2
|
10.9
|
1.0
|
HD2
|
A:HIS100
|
3.3
|
10.2
|
1.0
|
O1
|
A:NO2404
|
3.3
|
15.1
|
0.2
|
HD21
|
A:ASN98
|
3.4
|
13.9
|
1.0
|
ND2
|
A:ASN98
|
3.9
|
11.6
|
1.0
|
ND1
|
A:HIS100
|
4.1
|
8.3
|
1.0
|
ND1
|
A:HIS134
|
4.1
|
9.1
|
1.0
|
CG
|
A:HIS134
|
4.1
|
8.4
|
1.0
|
CG
|
A:HIS100
|
4.2
|
8.0
|
1.0
|
HD22
|
A:ASN98
|
4.4
|
13.9
|
1.0
|
CG
|
A:ASN98
|
4.5
|
9.9
|
1.0
|
OD1
|
A:ASN98
|
4.6
|
10.4
|
1.0
|
O
|
A:HOH693
|
4.8
|
11.8
|
1.0
|
HG2
|
A:MET132
|
4.8
|
10.4
|
1.0
|
HB3
|
A:SER274
|
4.9
|
9.8
|
1.0
|
HD1
|
A:HIS100
|
4.9
|
9.9
|
1.0
|
HD1
|
A:HIS134
|
4.9
|
11.0
|
1.0
|
HE2
|
A:MET132
|
4.9
|
10.7
|
1.0
|
HD12
|
A:ILE144
|
4.9
|
12.2
|
1.0
|
|
Copper binding site 3 out
of 6 in 9kwv
Go back to
Copper Binding Sites List in 9kwv
Copper binding site 3 out
of 6 in the Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase 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 Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu406
b:10.9
occ:0.88
|
ND1
|
A:HIS83
|
2.0
|
11.1
|
1.0
|
NE2
|
A:HIS42
|
2.0
|
11.4
|
1.0
|
O
|
A:HOH667
|
2.1
|
21.3
|
1.0
|
O
|
A:HOH778
|
2.3
|
16.5
|
1.0
|
H2
|
A:HOH778
|
2.4
|
19.8
|
1.0
|
CE1
|
A:HIS83
|
2.8
|
11.7
|
1.0
|
HE1
|
A:HIS83
|
3.0
|
14.0
|
1.0
|
CE1
|
A:HIS42
|
3.0
|
11.8
|
1.0
|
CD2
|
A:HIS42
|
3.0
|
10.8
|
1.0
|
CG
|
A:HIS83
|
3.1
|
10.5
|
1.0
|
H1
|
A:HOH778
|
3.2
|
19.8
|
1.0
|
HE1
|
A:HIS42
|
3.2
|
14.2
|
1.0
|
HD2
|
A:HIS42
|
3.2
|
13.0
|
1.0
|
HB3
|
A:HIS83
|
3.3
|
12.7
|
1.0
|
HB2
|
A:HIS83
|
3.5
|
12.7
|
1.0
|
CB
|
A:HIS83
|
3.6
|
10.6
|
1.0
|
HG22
|
A:VAL36
|
3.7
|
13.8
|
1.0
|
NE2
|
A:HIS83
|
4.0
|
12.1
|
1.0
|
ND1
|
A:HIS42
|
4.1
|
11.4
|
1.0
|
O
|
A:HOH694
|
4.1
|
25.6
|
1.0
|
CG
|
A:HIS42
|
4.2
|
10.3
|
1.0
|
CD2
|
A:HIS83
|
4.2
|
12.7
|
1.0
|
O
|
A:HOH793
|
4.3
|
14.7
|
1.0
|
O
|
A:HOH831
|
4.5
|
37.1
|
1.0
|
CG2
|
A:VAL36
|
4.6
|
11.5
|
1.0
|
HG12
|
A:VAL36
|
4.7
|
15.1
|
1.0
|
HE2
|
A:HIS83
|
4.8
|
14.5
|
1.0
|
HD1
|
A:HIS42
|
4.9
|
13.7
|
1.0
|
HG21
|
A:VAL36
|
4.9
|
13.8
|
1.0
|
|
Copper binding site 4 out
of 6 in 9kwv
Go back to
Copper Binding Sites List in 9kwv
Copper binding site 4 out
of 6 in the Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite
 Mono view
 Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 4 of Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu407
b:32.5
occ:0.53
|
O
|
A:HOH767
|
1.9
|
58.1
|
1.0
|
NE2
|
A:HIS39
|
2.0
|
17.2
|
1.0
|
CD2
|
A:HIS39
|
3.0
|
16.3
|
1.0
|
O
|
A:HOH786
|
3.0
|
50.0
|
1.0
|
CE1
|
A:HIS39
|
3.0
|
16.9
|
1.0
|
HD2
|
A:HIS39
|
3.1
|
19.6
|
1.0
|
HE1
|
A:HIS39
|
3.2
|
20.2
|
1.0
|
HB2
|
A:PRO38
|
3.9
|
16.0
|
0.7
|
HB2
|
A:PRO38
|
4.1
|
14.8
|
0.3
|
ND1
|
A:HIS39
|
4.1
|
15.2
|
1.0
|
CG
|
A:HIS39
|
4.1
|
14.2
|
1.0
|
HB3
|
A:PRO38
|
4.5
|
14.8
|
0.3
|
CB
|
A:PRO38
|
4.8
|
12.3
|
0.3
|
CB
|
A:PRO38
|
4.8
|
13.3
|
0.7
|
HG2
|
A:PRO38
|
4.8
|
15.2
|
0.7
|
HD1
|
A:HIS39
|
4.9
|
18.2
|
1.0
|
|
Copper binding site 5 out
of 6 in 9kwv
Go back to
Copper Binding Sites List in 9kwv
Copper binding site 5 out
of 6 in the Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite
 Mono view
 Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 5 of Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu408
b:12.9
occ:0.12
|
N
|
A:VAL249
|
2.0
|
8.8
|
1.0
|
O
|
A:VAL249
|
2.0
|
10.1
|
1.0
|
O
|
A:HOH541
|
2.1
|
10.3
|
1.0
|
OG1
|
A:THR248
|
2.1
|
9.9
|
1.0
|
H1
|
A:HOH541
|
2.6
|
12.3
|
1.0
|
C
|
A:VAL249
|
2.7
|
9.1
|
1.0
|
CA
|
A:VAL249
|
2.8
|
9.0
|
1.0
|
HB
|
A:VAL249
|
2.9
|
11.8
|
1.0
|
C
|
A:THR248
|
3.0
|
8.5
|
1.0
|
HA
|
A:THR248
|
3.1
|
11.1
|
1.0
|
CB
|
A:THR248
|
3.2
|
9.8
|
1.0
|
CA
|
A:THR248
|
3.3
|
9.2
|
1.0
|
CB
|
A:VAL249
|
3.3
|
9.8
|
1.0
|
HB2
|
A:PHE281
|
3.4
|
11.9
|
1.0
|
H
|
A:THR282
|
3.4
|
12.3
|
1.0
|
HG23
|
A:THR248
|
3.6
|
13.0
|
1.0
|
HA
|
A:VAL249
|
3.6
|
10.8
|
1.0
|
HG23
|
A:VAL249
|
3.6
|
13.3
|
1.0
|
HB
|
A:THR248
|
3.9
|
11.8
|
1.0
|
CG2
|
A:THR248
|
4.0
|
10.8
|
1.0
|
N
|
A:PHE250
|
4.0
|
8.6
|
1.0
|
CG2
|
A:VAL249
|
4.0
|
11.1
|
1.0
|
O
|
A:THR282
|
4.1
|
10.9
|
1.0
|
HA
|
A:PHE281
|
4.2
|
11.8
|
1.0
|
O
|
A:THR248
|
4.2
|
9.2
|
1.0
|
CB
|
A:PHE281
|
4.2
|
9.9
|
1.0
|
N
|
A:THR282
|
4.3
|
10.3
|
1.0
|
HB3
|
A:PHE281
|
4.3
|
11.9
|
1.0
|
OD1
|
A:ASP251
|
4.4
|
13.1
|
1.0
|
HA
|
A:PHE250
|
4.4
|
10.6
|
1.0
|
HG21
|
A:THR248
|
4.5
|
13.0
|
1.0
|
HB
|
A:THR282
|
4.6
|
14.7
|
1.0
|
HG11
|
A:VAL249
|
4.6
|
12.4
|
1.0
|
CG1
|
A:VAL249
|
4.6
|
10.4
|
1.0
|
H
|
A:ASP251
|
4.6
|
10.9
|
1.0
|
HG21
|
A:VAL249
|
4.6
|
13.3
|
1.0
|
CA
|
A:PHE281
|
4.7
|
9.8
|
1.0
|
H
|
A:PHE250
|
4.7
|
10.3
|
1.0
|
HG22
|
A:VAL249
|
4.7
|
13.3
|
1.0
|
CA
|
A:PHE250
|
4.7
|
8.8
|
1.0
|
HG22
|
A:THR248
|
4.7
|
13.0
|
1.0
|
N
|
A:THR248
|
4.7
|
9.0
|
1.0
|
N
|
A:ASP251
|
4.9
|
9.1
|
1.0
|
CG
|
A:ASP251
|
4.9
|
12.4
|
1.0
|
C
|
A:PHE250
|
5.0
|
9.0
|
1.0
|
C
|
A:PHE281
|
5.0
|
9.9
|
1.0
|
|
Copper binding site 6 out
of 6 in 9kwv
Go back to
Copper Binding Sites List in 9kwv
Copper binding site 6 out
of 6 in the Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite
 Mono view
 Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 6 of Structure of A D98N/C135A/G136A Mutant Copper-Containing Nitrite Reductase in Complex with Nitrite within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu409
b:45.0
occ:0.32
|
O
|
A:HOH512
|
1.9
|
34.4
|
1.0
|
OD2
|
A:ASP167
|
2.2
|
14.4
|
1.0
|
O
|
A:HOH681
|
2.5
|
29.7
|
1.0
|
O
|
A:HOH776
|
2.6
|
25.0
|
0.4
|
CG
|
A:ASP167
|
3.0
|
14.5
|
1.0
|
OD1
|
A:ASP167
|
3.0
|
16.7
|
1.0
|
H
|
A:LYS227
|
3.5
|
13.7
|
1.0
|
HA
|
A:GLU226
|
3.7
|
14.5
|
1.0
|
O
|
A:GLY225
|
4.1
|
14.2
|
1.0
|
O
|
A:GLU165
|
4.1
|
15.0
|
1.0
|
N
|
A:LYS227
|
4.3
|
11.4
|
1.0
|
O
|
A:HOH721
|
4.3
|
40.3
|
0.8
|
HB3
|
A:LYS227
|
4.3
|
16.5
|
1.0
|
CB
|
A:ASP167
|
4.4
|
13.2
|
1.0
|
CA
|
A:GLU226
|
4.6
|
12.1
|
1.0
|
HB2
|
A:LYS227
|
4.6
|
16.5
|
1.0
|
HB2
|
A:ASP167
|
4.6
|
15.8
|
1.0
|
HG2
|
A:GLU226
|
4.8
|
15.4
|
1.0
|
HB3
|
A:ASP167
|
4.8
|
15.8
|
1.0
|
C
|
A:GLU226
|
4.9
|
11.4
|
1.0
|
CB
|
A:LYS227
|
4.9
|
13.8
|
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 10:06:26 2025
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