Iron in PDB 4wjy: Esherichia Coli Nitrite Reductase Nrfa H264N
Enzymatic activity of Esherichia Coli Nitrite Reductase Nrfa H264N
All present enzymatic activity of Esherichia Coli Nitrite Reductase Nrfa H264N:
1.7.2.2;
Protein crystallography data
The structure of Esherichia Coli Nitrite Reductase Nrfa H264N, PDB code: 4wjy
was solved by
T.A.Clarke,
M.J.Edwards,
C.W.J.Lockwood,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
41.75 /
2.15
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
42.240,
89.490,
274.720,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.4 /
21.3
|
Other elements in 4wjy:
The structure of Esherichia Coli Nitrite Reductase Nrfa H264N also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Esherichia Coli Nitrite Reductase Nrfa H264N
(pdb code 4wjy). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
Esherichia Coli Nitrite Reductase Nrfa H264N, PDB code: 4wjy:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 1 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:13.9
occ:1.00
|
FE
|
A:HEM501
|
0.0
|
13.9
|
1.0
|
|
NB
|
A:HEM501
|
2.0
|
14.9
|
1.0
|
|
NZ
|
A:LYS126
|
2.0
|
6.7
|
1.0
|
|
NA
|
A:HEM501
|
2.1
|
14.4
|
1.0
|
|
NC
|
A:HEM501
|
2.1
|
13.0
|
1.0
|
|
ND
|
A:HEM501
|
2.1
|
17.6
|
1.0
|
|
O
|
A:HOH753
|
2.4
|
26.6
|
1.0
|
|
C1B
|
A:HEM501
|
3.0
|
14.8
|
1.0
|
|
C4C
|
A:HEM501
|
3.0
|
11.6
|
1.0
|
|
C4B
|
A:HEM501
|
3.1
|
15.4
|
1.0
|
|
C4A
|
A:HEM501
|
3.1
|
14.6
|
1.0
|
|
C1A
|
A:HEM501
|
3.1
|
17.7
|
1.0
|
|
CE
|
A:LYS126
|
3.1
|
9.3
|
1.0
|
|
C1D
|
A:HEM501
|
3.1
|
17.7
|
1.0
|
|
C1C
|
A:HEM501
|
3.2
|
13.6
|
1.0
|
|
C4D
|
A:HEM501
|
3.2
|
23.1
|
1.0
|
|
CHD
|
A:HEM501
|
3.4
|
11.4
|
1.0
|
|
CHB
|
A:HEM501
|
3.4
|
12.5
|
1.0
|
|
CHA
|
A:HEM501
|
3.5
|
21.9
|
1.0
|
|
CHC
|
A:HEM501
|
3.5
|
12.9
|
1.0
|
|
O
|
A:HOH638
|
4.1
|
11.9
|
1.0
|
|
C2B
|
A:HEM501
|
4.2
|
15.4
|
1.0
|
|
C3B
|
A:HEM501
|
4.2
|
13.7
|
1.0
|
|
C3C
|
A:HEM501
|
4.3
|
13.7
|
1.0
|
|
C3A
|
A:HEM501
|
4.3
|
14.2
|
1.0
|
|
C2A
|
A:HEM501
|
4.3
|
15.3
|
1.0
|
|
C2C
|
A:HEM501
|
4.3
|
14.1
|
1.0
|
|
C2D
|
A:HEM501
|
4.4
|
18.4
|
1.0
|
|
C3D
|
A:HEM501
|
4.4
|
19.0
|
1.0
|
|
O
|
A:HOH660
|
4.5
|
21.4
|
1.0
|
|
CD
|
A:LYS126
|
4.5
|
12.2
|
1.0
|
|
CMD
|
A:HEM503
|
5.0
|
7.9
|
1.0
|
|
OH
|
A:TYR216
|
5.0
|
33.2
|
1.0
|
|
Iron binding site 2 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 2 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:12.2
occ:1.00
|
FE
|
A:HEM502
|
0.0
|
12.2
|
1.0
|
|
NB
|
A:HEM502
|
1.9
|
10.0
|
1.0
|
|
ND
|
A:HEM502
|
1.9
|
12.2
|
1.0
|
|
NE2
|
A:HIS301
|
2.0
|
8.4
|
1.0
|
|
NE2
|
A:HIS164
|
2.1
|
11.9
|
1.0
|
|
NC
|
A:HEM502
|
2.1
|
10.7
|
1.0
|
|
NA
|
A:HEM502
|
2.1
|
14.6
|
1.0
|
|
C1B
|
A:HEM502
|
2.9
|
14.3
|
1.0
|
|
C1D
|
A:HEM502
|
3.0
|
12.7
|
1.0
|
|
CE1
|
A:HIS301
|
3.0
|
12.6
|
1.0
|
|
CE1
|
A:HIS164
|
3.0
|
13.1
|
1.0
|
|
C4D
|
A:HEM502
|
3.0
|
11.0
|
1.0
|
|
C4C
|
A:HEM502
|
3.0
|
13.3
|
1.0
|
|
C4B
|
A:HEM502
|
3.0
|
7.5
|
1.0
|
|
C4A
|
A:HEM502
|
3.0
|
14.7
|
1.0
|
|
CD2
|
A:HIS164
|
3.1
|
6.5
|
1.0
|
|
CD2
|
A:HIS301
|
3.1
|
9.7
|
1.0
|
|
C1A
|
A:HEM502
|
3.1
|
11.2
|
1.0
|
|
C1C
|
A:HEM502
|
3.1
|
11.3
|
1.0
|
|
CHD
|
A:HEM502
|
3.3
|
13.8
|
1.0
|
|
CHB
|
A:HEM502
|
3.4
|
13.4
|
1.0
|
|
CHA
|
A:HEM502
|
3.4
|
10.4
|
1.0
|
|
CHC
|
A:HEM502
|
3.5
|
6.8
|
1.0
|
|
ND1
|
A:HIS164
|
4.1
|
9.7
|
1.0
|
|
ND1
|
A:HIS301
|
4.1
|
11.8
|
1.0
|
|
C2B
|
A:HEM502
|
4.2
|
11.7
|
1.0
|
|
CG
|
A:HIS164
|
4.2
|
11.4
|
1.0
|
|
CG
|
A:HIS301
|
4.2
|
13.0
|
1.0
|
|
C3B
|
A:HEM502
|
4.2
|
10.1
|
1.0
|
|
C3D
|
A:HEM502
|
4.2
|
10.9
|
1.0
|
|
C2D
|
A:HEM502
|
4.2
|
12.3
|
1.0
|
|
C3C
|
A:HEM502
|
4.3
|
12.6
|
1.0
|
|
C3A
|
A:HEM502
|
4.3
|
14.8
|
1.0
|
|
C2A
|
A:HEM502
|
4.3
|
13.7
|
1.0
|
|
C2C
|
A:HEM502
|
4.3
|
10.8
|
1.0
|
|
CE
|
A:MET287
|
4.7
|
16.4
|
1.0
|
|
Iron binding site 3 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 3 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe503
b:9.3
occ:1.00
|
FE
|
A:HEM503
|
0.0
|
9.3
|
1.0
|
|
NE2
|
A:HIS94
|
2.0
|
6.6
|
1.0
|
|
NB
|
A:HEM503
|
2.0
|
8.2
|
1.0
|
|
ND
|
A:HEM503
|
2.0
|
6.9
|
1.0
|
|
NE2
|
A:HIS213
|
2.0
|
3.6
|
1.0
|
|
NA
|
A:HEM503
|
2.0
|
7.9
|
1.0
|
|
NC
|
A:HEM503
|
2.0
|
9.0
|
1.0
|
|
CE1
|
A:HIS94
|
2.9
|
12.0
|
1.0
|
|
CE1
|
A:HIS213
|
2.9
|
6.2
|
1.0
|
|
C1D
|
A:HEM503
|
3.0
|
7.3
|
1.0
|
|
C4B
|
A:HEM503
|
3.0
|
9.7
|
1.0
|
|
C1A
|
A:HEM503
|
3.0
|
5.3
|
1.0
|
|
C4D
|
A:HEM503
|
3.0
|
10.3
|
1.0
|
|
CD2
|
A:HIS213
|
3.0
|
3.9
|
1.0
|
|
C4A
|
A:HEM503
|
3.1
|
8.5
|
1.0
|
|
C1B
|
A:HEM503
|
3.1
|
9.2
|
1.0
|
|
CD2
|
A:HIS94
|
3.1
|
9.2
|
1.0
|
|
C4C
|
A:HEM503
|
3.1
|
10.1
|
1.0
|
|
C1C
|
A:HEM503
|
3.1
|
10.1
|
1.0
|
|
CHA
|
A:HEM503
|
3.4
|
7.0
|
1.0
|
|
CHD
|
A:HEM503
|
3.4
|
7.3
|
1.0
|
|
CHC
|
A:HEM503
|
3.4
|
7.0
|
1.0
|
|
CHB
|
A:HEM503
|
3.5
|
9.0
|
1.0
|
|
ND1
|
A:HIS94
|
4.0
|
10.1
|
1.0
|
|
ND1
|
A:HIS213
|
4.1
|
5.0
|
1.0
|
|
CG
|
A:HIS94
|
4.1
|
10.6
|
1.0
|
|
CG
|
A:HIS213
|
4.1
|
9.9
|
1.0
|
|
C3B
|
A:HEM503
|
4.2
|
8.8
|
1.0
|
|
C2D
|
A:HEM503
|
4.2
|
6.6
|
1.0
|
|
C2A
|
A:HEM503
|
4.2
|
5.8
|
1.0
|
|
C2B
|
A:HEM503
|
4.2
|
6.2
|
1.0
|
|
C3A
|
A:HEM503
|
4.2
|
8.0
|
1.0
|
|
C3D
|
A:HEM503
|
4.3
|
9.4
|
1.0
|
|
C3C
|
A:HEM503
|
4.3
|
7.7
|
1.0
|
|
C2C
|
A:HEM503
|
4.3
|
9.9
|
1.0
|
|
Iron binding site 4 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 4 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe504
b:10.1
occ:1.00
|
FE
|
A:HEM504
|
0.0
|
10.1
|
1.0
|
|
NA
|
A:HEM504
|
2.0
|
4.7
|
1.0
|
|
NC
|
A:HEM504
|
2.0
|
9.2
|
1.0
|
|
NB
|
A:HEM504
|
2.0
|
9.7
|
1.0
|
|
NE2
|
A:HIS286
|
2.0
|
6.4
|
1.0
|
|
ND
|
A:HEM504
|
2.0
|
11.7
|
1.0
|
|
NE2
|
A:HIS393
|
2.1
|
10.5
|
1.0
|
|
CE1
|
A:HIS286
|
3.0
|
7.0
|
1.0
|
|
C4B
|
A:HEM504
|
3.0
|
9.1
|
1.0
|
|
C4A
|
A:HEM504
|
3.0
|
10.1
|
1.0
|
|
CE1
|
A:HIS393
|
3.0
|
11.8
|
1.0
|
|
C1B
|
A:HEM504
|
3.0
|
8.8
|
1.0
|
|
C4C
|
A:HEM504
|
3.0
|
13.2
|
1.0
|
|
C1C
|
A:HEM504
|
3.0
|
9.7
|
1.0
|
|
C1A
|
A:HEM504
|
3.0
|
10.1
|
1.0
|
|
C1D
|
A:HEM504
|
3.0
|
9.7
|
1.0
|
|
CD2
|
A:HIS286
|
3.0
|
6.6
|
1.0
|
|
C4D
|
A:HEM504
|
3.1
|
11.9
|
1.0
|
|
CD2
|
A:HIS393
|
3.1
|
9.9
|
1.0
|
|
CHC
|
A:HEM504
|
3.4
|
4.5
|
1.0
|
|
CHB
|
A:HEM504
|
3.4
|
4.1
|
1.0
|
|
CHA
|
A:HEM504
|
3.4
|
6.2
|
1.0
|
|
CHD
|
A:HEM504
|
3.4
|
10.2
|
1.0
|
|
ND1
|
A:HIS286
|
4.1
|
7.5
|
1.0
|
|
ND1
|
A:HIS393
|
4.2
|
8.9
|
1.0
|
|
CG
|
A:HIS286
|
4.2
|
5.3
|
1.0
|
|
C3B
|
A:HEM504
|
4.2
|
9.5
|
1.0
|
|
C2B
|
A:HEM504
|
4.2
|
11.1
|
1.0
|
|
C3C
|
A:HEM504
|
4.2
|
9.4
|
1.0
|
|
CG
|
A:HIS393
|
4.2
|
10.0
|
1.0
|
|
C2C
|
A:HEM504
|
4.2
|
9.4
|
1.0
|
|
C3A
|
A:HEM504
|
4.2
|
7.2
|
1.0
|
|
C2A
|
A:HEM504
|
4.2
|
7.6
|
1.0
|
|
C2D
|
A:HEM504
|
4.3
|
11.7
|
1.0
|
|
C3D
|
A:HEM504
|
4.3
|
10.7
|
1.0
|
|
Iron binding site 5 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 5 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe505
b:14.7
occ:1.00
|
FE
|
A:HEM505
|
0.0
|
14.7
|
1.0
|
|
NB
|
A:HEM505
|
1.9
|
12.6
|
1.0
|
|
NA
|
A:HEM505
|
2.0
|
13.4
|
1.0
|
|
ND
|
A:HEM505
|
2.0
|
12.4
|
1.0
|
|
NC
|
A:HEM505
|
2.1
|
13.3
|
1.0
|
|
NE2
|
A:HIS318
|
2.1
|
18.1
|
1.0
|
|
NE2
|
A:HIS275
|
2.1
|
11.3
|
1.0
|
|
C4B
|
A:HEM505
|
3.0
|
14.6
|
1.0
|
|
CE1
|
A:HIS318
|
3.0
|
24.3
|
1.0
|
|
C1B
|
A:HEM505
|
3.0
|
12.6
|
1.0
|
|
C4D
|
A:HEM505
|
3.0
|
13.3
|
1.0
|
|
C1A
|
A:HEM505
|
3.0
|
13.7
|
1.0
|
|
C4A
|
A:HEM505
|
3.0
|
12.5
|
1.0
|
|
C1C
|
A:HEM505
|
3.0
|
10.4
|
1.0
|
|
CE1
|
A:HIS275
|
3.0
|
10.3
|
1.0
|
|
CD2
|
A:HIS275
|
3.1
|
11.4
|
1.0
|
|
C1D
|
A:HEM505
|
3.1
|
13.5
|
1.0
|
|
C4C
|
A:HEM505
|
3.1
|
13.3
|
1.0
|
|
CD2
|
A:HIS318
|
3.1
|
16.6
|
1.0
|
|
CHA
|
A:HEM505
|
3.4
|
12.8
|
1.0
|
|
CHC
|
A:HEM505
|
3.4
|
12.3
|
1.0
|
|
CHB
|
A:HEM505
|
3.4
|
11.7
|
1.0
|
|
CHD
|
A:HEM505
|
3.5
|
11.3
|
1.0
|
|
ND1
|
A:HIS318
|
4.1
|
19.4
|
1.0
|
|
C3B
|
A:HEM505
|
4.2
|
12.5
|
1.0
|
|
ND1
|
A:HIS275
|
4.2
|
14.8
|
1.0
|
|
C2B
|
A:HEM505
|
4.2
|
14.1
|
1.0
|
|
CG
|
A:HIS275
|
4.2
|
14.2
|
1.0
|
|
CG
|
A:HIS318
|
4.2
|
18.9
|
1.0
|
|
C2A
|
A:HEM505
|
4.2
|
16.4
|
1.0
|
|
C3D
|
A:HEM505
|
4.2
|
15.5
|
1.0
|
|
C3A
|
A:HEM505
|
4.2
|
15.0
|
1.0
|
|
C2D
|
A:HEM505
|
4.3
|
10.5
|
1.0
|
|
C2C
|
A:HEM505
|
4.3
|
12.7
|
1.0
|
|
C3C
|
A:HEM505
|
4.3
|
10.5
|
1.0
|
|
CBC
|
A:HEM504
|
4.9
|
11.8
|
1.0
|
|
Iron binding site 6 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 6 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe501
b:18.4
occ:1.00
|
FE
|
B:HEM501
|
0.0
|
18.4
|
1.0
|
|
NC
|
B:HEM501
|
2.0
|
15.1
|
1.0
|
|
NB
|
B:HEM501
|
2.0
|
13.7
|
1.0
|
|
ND
|
B:HEM501
|
2.0
|
18.3
|
1.0
|
|
NA
|
B:HEM501
|
2.1
|
16.3
|
1.0
|
|
NZ
|
B:LYS126
|
2.2
|
22.5
|
1.0
|
|
O
|
B:HOH781
|
2.2
|
35.1
|
1.0
|
|
C4B
|
B:HEM501
|
3.0
|
15.9
|
1.0
|
|
C4C
|
B:HEM501
|
3.0
|
13.0
|
1.0
|
|
C4D
|
B:HEM501
|
3.0
|
24.6
|
1.0
|
|
C1C
|
B:HEM501
|
3.0
|
16.9
|
1.0
|
|
C1D
|
B:HEM501
|
3.0
|
14.9
|
1.0
|
|
C1B
|
B:HEM501
|
3.1
|
12.0
|
1.0
|
|
C1A
|
B:HEM501
|
3.1
|
21.1
|
1.0
|
|
C4A
|
B:HEM501
|
3.1
|
14.1
|
1.0
|
|
CE
|
B:LYS126
|
3.2
|
25.4
|
1.0
|
|
CHD
|
B:HEM501
|
3.4
|
8.5
|
1.0
|
|
CHC
|
B:HEM501
|
3.4
|
13.8
|
1.0
|
|
CHA
|
B:HEM501
|
3.4
|
23.9
|
1.0
|
|
CHB
|
B:HEM501
|
3.5
|
11.5
|
1.0
|
|
C3B
|
B:HEM501
|
4.2
|
15.0
|
1.0
|
|
C3C
|
B:HEM501
|
4.2
|
12.4
|
1.0
|
|
C2C
|
B:HEM501
|
4.2
|
13.6
|
1.0
|
|
O
|
B:HOH633
|
4.2
|
19.5
|
1.0
|
|
C2B
|
B:HEM501
|
4.3
|
15.2
|
1.0
|
|
C3D
|
B:HEM501
|
4.3
|
21.9
|
1.0
|
|
C2D
|
B:HEM501
|
4.3
|
18.5
|
1.0
|
|
C3A
|
B:HEM501
|
4.3
|
19.5
|
1.0
|
|
C2A
|
B:HEM501
|
4.3
|
18.4
|
1.0
|
|
CD
|
B:LYS126
|
4.6
|
22.8
|
1.0
|
|
NH2
|
B:ARG106
|
4.9
|
16.9
|
1.0
|
|
O
|
B:HOH675
|
4.9
|
24.8
|
1.0
|
|
CMD
|
B:HEM503
|
5.0
|
11.6
|
1.0
|
|
Iron binding site 7 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 7 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe502
b:17.6
occ:1.00
|
FE
|
B:HEM502
|
0.0
|
17.6
|
1.0
|
|
NE2
|
B:HIS164
|
1.9
|
13.2
|
1.0
|
|
NB
|
B:HEM502
|
2.0
|
23.6
|
1.0
|
|
NE2
|
B:HIS301
|
2.0
|
16.2
|
1.0
|
|
ND
|
B:HEM502
|
2.0
|
19.7
|
1.0
|
|
NA
|
B:HEM502
|
2.0
|
21.5
|
1.0
|
|
NC
|
B:HEM502
|
2.1
|
22.1
|
1.0
|
|
CE1
|
B:HIS164
|
2.8
|
14.3
|
1.0
|
|
CD2
|
B:HIS301
|
2.9
|
15.6
|
1.0
|
|
C1B
|
B:HEM502
|
2.9
|
23.1
|
1.0
|
|
C1D
|
B:HEM502
|
3.0
|
18.0
|
1.0
|
|
C4A
|
B:HEM502
|
3.0
|
19.1
|
1.0
|
|
C4C
|
B:HEM502
|
3.0
|
18.2
|
1.0
|
|
CE1
|
B:HIS301
|
3.1
|
17.1
|
1.0
|
|
C4B
|
B:HEM502
|
3.1
|
23.9
|
1.0
|
|
CD2
|
B:HIS164
|
3.1
|
13.0
|
1.0
|
|
C4D
|
B:HEM502
|
3.1
|
19.4
|
1.0
|
|
C1A
|
B:HEM502
|
3.1
|
22.3
|
1.0
|
|
C1C
|
B:HEM502
|
3.2
|
20.5
|
1.0
|
|
CHB
|
B:HEM502
|
3.3
|
18.0
|
1.0
|
|
CHD
|
B:HEM502
|
3.3
|
17.8
|
1.0
|
|
CHA
|
B:HEM502
|
3.5
|
19.1
|
1.0
|
|
CHC
|
B:HEM502
|
3.5
|
22.2
|
1.0
|
|
ND1
|
B:HIS164
|
4.0
|
13.4
|
1.0
|
|
CG
|
B:HIS301
|
4.1
|
15.9
|
1.0
|
|
ND1
|
B:HIS301
|
4.1
|
17.0
|
1.0
|
|
CG
|
B:HIS164
|
4.1
|
17.5
|
1.0
|
|
C2B
|
B:HEM502
|
4.2
|
23.2
|
1.0
|
|
C3A
|
B:HEM502
|
4.2
|
20.2
|
1.0
|
|
C2D
|
B:HEM502
|
4.2
|
17.1
|
1.0
|
|
C3B
|
B:HEM502
|
4.3
|
23.9
|
1.0
|
|
C3C
|
B:HEM502
|
4.3
|
21.5
|
1.0
|
|
C2A
|
B:HEM502
|
4.3
|
20.7
|
1.0
|
|
C3D
|
B:HEM502
|
4.3
|
16.9
|
1.0
|
|
C2C
|
B:HEM502
|
4.4
|
19.8
|
1.0
|
|
CE
|
B:MET287
|
4.7
|
17.7
|
1.0
|
|
Iron binding site 8 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 8 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe503
b:15.3
occ:1.00
|
FE
|
B:HEM503
|
0.0
|
15.3
|
1.0
|
|
NC
|
B:HEM503
|
1.8
|
9.1
|
1.0
|
|
NA
|
B:HEM503
|
1.9
|
9.5
|
1.0
|
|
NB
|
B:HEM503
|
2.0
|
10.5
|
1.0
|
|
NE2
|
B:HIS213
|
2.0
|
19.1
|
1.0
|
|
ND
|
B:HEM503
|
2.0
|
9.3
|
1.0
|
|
NE2
|
B:HIS94
|
2.2
|
16.6
|
1.0
|
|
CE1
|
B:HIS213
|
2.9
|
16.9
|
1.0
|
|
C1C
|
B:HEM503
|
2.9
|
10.9
|
1.0
|
|
C4C
|
B:HEM503
|
2.9
|
11.8
|
1.0
|
|
C4B
|
B:HEM503
|
2.9
|
12.2
|
1.0
|
|
C1A
|
B:HEM503
|
3.0
|
12.8
|
1.0
|
|
C4A
|
B:HEM503
|
3.0
|
10.4
|
1.0
|
|
C1B
|
B:HEM503
|
3.0
|
8.7
|
1.0
|
|
C1D
|
B:HEM503
|
3.1
|
9.0
|
1.0
|
|
C4D
|
B:HEM503
|
3.1
|
9.0
|
1.0
|
|
CD2
|
B:HIS213
|
3.1
|
13.8
|
1.0
|
|
CD2
|
B:HIS94
|
3.1
|
17.2
|
1.0
|
|
CE1
|
B:HIS94
|
3.1
|
17.3
|
1.0
|
|
CHC
|
B:HEM503
|
3.3
|
11.8
|
1.0
|
|
CHD
|
B:HEM503
|
3.4
|
8.8
|
1.0
|
|
CHA
|
B:HEM503
|
3.4
|
10.8
|
1.0
|
|
CHB
|
B:HEM503
|
3.4
|
11.4
|
1.0
|
|
ND1
|
B:HIS213
|
4.0
|
20.6
|
1.0
|
|
C2C
|
B:HEM503
|
4.1
|
9.8
|
1.0
|
|
C3C
|
B:HEM503
|
4.1
|
10.6
|
1.0
|
|
CG
|
B:HIS213
|
4.2
|
19.2
|
1.0
|
|
C3B
|
B:HEM503
|
4.2
|
14.0
|
1.0
|
|
C3A
|
B:HEM503
|
4.2
|
9.8
|
1.0
|
|
C2A
|
B:HEM503
|
4.2
|
11.9
|
1.0
|
|
C2B
|
B:HEM503
|
4.2
|
11.8
|
1.0
|
|
ND1
|
B:HIS94
|
4.2
|
21.7
|
1.0
|
|
CG
|
B:HIS94
|
4.3
|
19.2
|
1.0
|
|
C2D
|
B:HEM503
|
4.3
|
6.8
|
1.0
|
|
C3D
|
B:HEM503
|
4.3
|
9.6
|
1.0
|
|
Iron binding site 9 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 9 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe504
b:14.4
occ:1.00
|
FE
|
B:HEM504
|
0.0
|
14.4
|
1.0
|
|
NC
|
B:HEM504
|
1.9
|
10.3
|
1.0
|
|
NA
|
B:HEM504
|
2.0
|
11.1
|
1.0
|
|
NB
|
B:HEM504
|
2.0
|
10.9
|
1.0
|
|
ND
|
B:HEM504
|
2.1
|
13.2
|
1.0
|
|
NE2
|
B:HIS286
|
2.1
|
15.9
|
1.0
|
|
NE2
|
B:HIS393
|
2.1
|
15.1
|
1.0
|
|
C4C
|
B:HEM504
|
2.9
|
13.5
|
1.0
|
|
CE1
|
B:HIS286
|
3.0
|
16.7
|
1.0
|
|
C4A
|
B:HEM504
|
3.0
|
12.8
|
1.0
|
|
C1D
|
B:HEM504
|
3.0
|
16.4
|
1.0
|
|
C1B
|
B:HEM504
|
3.0
|
11.3
|
1.0
|
|
C1C
|
B:HEM504
|
3.0
|
11.3
|
1.0
|
|
CE1
|
B:HIS393
|
3.0
|
10.3
|
1.0
|
|
C4B
|
B:HEM504
|
3.0
|
12.0
|
1.0
|
|
C1A
|
B:HEM504
|
3.0
|
11.6
|
1.0
|
|
C4D
|
B:HEM504
|
3.1
|
12.3
|
1.0
|
|
CD2
|
B:HIS286
|
3.1
|
12.7
|
1.0
|
|
CD2
|
B:HIS393
|
3.1
|
10.7
|
1.0
|
|
CHD
|
B:HEM504
|
3.3
|
11.2
|
1.0
|
|
CHB
|
B:HEM504
|
3.4
|
11.8
|
1.0
|
|
CHC
|
B:HEM504
|
3.5
|
11.3
|
1.0
|
|
CHA
|
B:HEM504
|
3.5
|
14.5
|
1.0
|
|
ND1
|
B:HIS286
|
4.1
|
13.9
|
1.0
|
|
C3C
|
B:HEM504
|
4.1
|
8.7
|
1.0
|
|
ND1
|
B:HIS393
|
4.2
|
12.3
|
1.0
|
|
C2B
|
B:HEM504
|
4.2
|
8.7
|
1.0
|
|
C2C
|
B:HEM504
|
4.2
|
10.9
|
1.0
|
|
C3A
|
B:HEM504
|
4.2
|
11.2
|
1.0
|
|
C3B
|
B:HEM504
|
4.2
|
9.8
|
1.0
|
|
CG
|
B:HIS286
|
4.2
|
16.7
|
1.0
|
|
CG
|
B:HIS393
|
4.2
|
15.0
|
1.0
|
|
C2A
|
B:HEM504
|
4.3
|
12.0
|
1.0
|
|
C2D
|
B:HEM504
|
4.3
|
16.6
|
1.0
|
|
C3D
|
B:HEM504
|
4.3
|
18.2
|
1.0
|
|
Iron binding site 10 out
of 10 in 4wjy
Go back to
Iron Binding Sites List in 4wjy
Iron binding site 10 out
of 10 in the Esherichia Coli Nitrite Reductase Nrfa H264N
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Esherichia Coli Nitrite Reductase Nrfa H264N within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe505
b:16.7
occ:1.00
|
FE
|
B:HEM505
|
0.0
|
16.7
|
1.0
|
|
NC
|
B:HEM505
|
2.0
|
13.8
|
1.0
|
|
NB
|
B:HEM505
|
2.0
|
13.7
|
1.0
|
|
NA
|
B:HEM505
|
2.0
|
15.3
|
1.0
|
|
ND
|
B:HEM505
|
2.0
|
15.6
|
1.0
|
|
NE2
|
B:HIS318
|
2.1
|
21.0
|
1.0
|
|
NE2
|
B:HIS275
|
2.2
|
13.9
|
1.0
|
|
CE1
|
B:HIS318
|
3.0
|
24.8
|
1.0
|
|
C4C
|
B:HEM505
|
3.0
|
16.3
|
1.0
|
|
C1B
|
B:HEM505
|
3.0
|
16.0
|
1.0
|
|
C4A
|
B:HEM505
|
3.0
|
18.8
|
1.0
|
|
C1C
|
B:HEM505
|
3.0
|
14.5
|
1.0
|
|
CD2
|
B:HIS275
|
3.1
|
12.4
|
1.0
|
|
C4B
|
B:HEM505
|
3.1
|
14.8
|
1.0
|
|
CD2
|
B:HIS318
|
3.1
|
20.9
|
1.0
|
|
C1A
|
B:HEM505
|
3.1
|
18.1
|
1.0
|
|
C4D
|
B:HEM505
|
3.1
|
18.4
|
1.0
|
|
C1D
|
B:HEM505
|
3.1
|
14.8
|
1.0
|
|
CE1
|
B:HIS275
|
3.2
|
16.6
|
1.0
|
|
CHB
|
B:HEM505
|
3.4
|
15.1
|
1.0
|
|
CHD
|
B:HEM505
|
3.4
|
14.1
|
1.0
|
|
CHC
|
B:HEM505
|
3.5
|
10.6
|
1.0
|
|
CHA
|
B:HEM505
|
3.5
|
17.7
|
1.0
|
|
ND1
|
B:HIS318
|
4.1
|
25.8
|
1.0
|
|
CG
|
B:HIS318
|
4.2
|
22.2
|
1.0
|
|
C2C
|
B:HEM505
|
4.2
|
13.7
|
1.0
|
|
C2B
|
B:HEM505
|
4.2
|
14.9
|
1.0
|
|
C3C
|
B:HEM505
|
4.2
|
15.1
|
1.0
|
|
CG
|
B:HIS275
|
4.3
|
15.6
|
1.0
|
|
C3A
|
B:HEM505
|
4.3
|
17.3
|
1.0
|
|
C3B
|
B:HEM505
|
4.3
|
14.7
|
1.0
|
|
C2A
|
B:HEM505
|
4.3
|
20.9
|
1.0
|
|
ND1
|
B:HIS275
|
4.3
|
14.7
|
1.0
|
|
C3D
|
B:HEM505
|
4.4
|
17.6
|
1.0
|
|
C2D
|
B:HEM505
|
4.4
|
16.2
|
1.0
|
|
O
|
B:HOH830
|
4.8
|
43.3
|
1.0
|
|
CBC
|
B:HEM504
|
4.8
|
13.7
|
1.0
|
|
Reference:
C.W.Lockwood,
B.Burlat,
M.R.Cheesman,
M.Kern,
J.Simon,
T.A.Clarke,
D.J.Richardson,
J.N.Butt.
Resolution of Key Roles For the Distal Pocket Histidine in Cytochrome C Nitrite Reductases. J.Am.Chem.Soc. 2015.
ISSN: ESSN 1520-5126
PubMed: 25658043
DOI: 10.1021/JA512941J
Page generated: Mon Aug 5 14:49:06 2024
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