Iron in PDB 4l3x: Nitrite Complex of Tvnir, First Middle Dose Data Set
Enzymatic activity of Nitrite Complex of Tvnir, First Middle Dose Data Set
All present enzymatic activity of Nitrite Complex of Tvnir, First Middle Dose Data Set:
1.7.2.2;
Protein crystallography data
The structure of Nitrite Complex of Tvnir, First Middle Dose Data Set, PDB code: 4l3x
was solved by
A.A.Trofimov,
K.M.Polyakov,
V.A.Lazarenko,
A.N.Popov,
T.V.Tikhonova,
A.V.Tikhonov,
V.O.Popov,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
29.06 /
1.85
|
|
Space group
|
P 21 3
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
194.850,
194.850,
194.850,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.3 /
17
|
Other elements in 4l3x:
The structure of Nitrite Complex of Tvnir, First Middle Dose Data Set also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Iron atom in the Nitrite Complex of Tvnir, First Middle Dose Data Set
(pdb code 4l3x). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the
Nitrite Complex of Tvnir, First Middle Dose Data Set, PDB code: 4l3x:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 1 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:10.2
occ:1.00
|
FE
|
A:HEC601
|
0.0
|
10.2
|
1.0
|
|
N
|
A:NO2609
|
1.9
|
12.7
|
0.5
|
|
NZ
|
A:LYS188
|
1.9
|
10.9
|
1.0
|
|
ND
|
A:HEC601
|
2.0
|
9.1
|
1.0
|
|
NA
|
A:HEC601
|
2.1
|
9.7
|
1.0
|
|
NB
|
A:HEC601
|
2.1
|
10.1
|
1.0
|
|
NC
|
A:HEC601
|
2.1
|
9.6
|
1.0
|
|
O
|
A:HOH1211
|
2.1
|
10.5
|
0.5
|
|
O1
|
A:NO2609
|
2.7
|
13.7
|
0.3
|
|
O2
|
A:NO2609
|
2.8
|
14.4
|
0.5
|
|
C4B
|
A:HEC601
|
3.0
|
9.8
|
1.0
|
|
C4D
|
A:HEC601
|
3.1
|
9.0
|
1.0
|
|
C1A
|
A:HEC601
|
3.1
|
9.5
|
1.0
|
|
C4A
|
A:HEC601
|
3.1
|
9.5
|
1.0
|
|
C1D
|
A:HEC601
|
3.1
|
9.0
|
1.0
|
|
C1C
|
A:HEC601
|
3.1
|
9.8
|
1.0
|
|
CE
|
A:LYS188
|
3.1
|
12.0
|
1.0
|
|
C1B
|
A:HEC601
|
3.1
|
9.4
|
1.0
|
|
C4C
|
A:HEC601
|
3.1
|
9.4
|
1.0
|
|
CHC
|
A:HEC601
|
3.4
|
9.4
|
1.0
|
|
CHA
|
A:HEC601
|
3.4
|
8.9
|
1.0
|
|
CHB
|
A:HEC601
|
3.4
|
9.3
|
1.0
|
|
CHD
|
A:HEC601
|
3.5
|
8.6
|
1.0
|
|
C3B
|
A:HEC601
|
4.3
|
9.8
|
1.0
|
|
C3D
|
A:HEC601
|
4.4
|
8.7
|
1.0
|
|
C2D
|
A:HEC601
|
4.4
|
8.6
|
1.0
|
|
C3C
|
A:HEC601
|
4.4
|
9.1
|
1.0
|
|
C2B
|
A:HEC601
|
4.4
|
9.6
|
1.0
|
|
C2A
|
A:HEC601
|
4.4
|
9.2
|
1.0
|
|
C3A
|
A:HEC601
|
4.4
|
9.6
|
1.0
|
|
C2C
|
A:HEC601
|
4.4
|
9.8
|
1.0
|
|
NE2
|
A:HIS361
|
4.4
|
12.4
|
1.0
|
|
CD
|
A:LYS188
|
4.5
|
10.9
|
1.0
|
|
O
|
A:HOH922
|
4.6
|
12.7
|
0.5
|
|
O
|
A:HOH809
|
4.7
|
14.3
|
1.0
|
|
OH
|
A:TYR303
|
4.8
|
19.3
|
1.0
|
|
CMD
|
A:HEC603
|
4.9
|
8.0
|
1.0
|
|
O
|
A:HOH818
|
4.9
|
20.6
|
1.0
|
|
NH2
|
A:ARG131
|
4.9
|
10.7
|
1.0
|
|
Iron binding site 2 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 2 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe602
b:10.1
occ:1.00
|
FE
|
A:HEC602
|
0.0
|
10.1
|
1.0
|
|
NE2
|
A:HIS231
|
2.0
|
9.7
|
1.0
|
|
NE2
|
A:HIS398
|
2.0
|
9.2
|
1.0
|
|
ND
|
A:HEC602
|
2.0
|
10.3
|
1.0
|
|
NC
|
A:HEC602
|
2.0
|
9.4
|
1.0
|
|
NB
|
A:HEC602
|
2.1
|
9.3
|
1.0
|
|
NA
|
A:HEC602
|
2.1
|
10.2
|
1.0
|
|
CD2
|
A:HIS398
|
2.9
|
9.2
|
1.0
|
|
CD2
|
A:HIS231
|
3.0
|
9.3
|
1.0
|
|
CE1
|
A:HIS231
|
3.0
|
9.5
|
1.0
|
|
CE1
|
A:HIS398
|
3.0
|
9.5
|
1.0
|
|
C4A
|
A:HEC602
|
3.0
|
9.4
|
1.0
|
|
C1D
|
A:HEC602
|
3.1
|
10.1
|
1.0
|
|
C4D
|
A:HEC602
|
3.1
|
10.7
|
1.0
|
|
C1C
|
A:HEC602
|
3.1
|
9.0
|
1.0
|
|
C1B
|
A:HEC602
|
3.1
|
8.9
|
1.0
|
|
C4B
|
A:HEC602
|
3.1
|
8.9
|
1.0
|
|
C4C
|
A:HEC602
|
3.1
|
9.1
|
1.0
|
|
C1A
|
A:HEC602
|
3.1
|
9.9
|
1.0
|
|
CHB
|
A:HEC602
|
3.4
|
8.7
|
1.0
|
|
CHD
|
A:HEC602
|
3.4
|
9.8
|
1.0
|
|
CHC
|
A:HEC602
|
3.4
|
8.6
|
1.0
|
|
CHA
|
A:HEC602
|
3.4
|
10.1
|
1.0
|
|
ND1
|
A:HIS231
|
4.1
|
9.3
|
1.0
|
|
CG
|
A:HIS398
|
4.1
|
9.6
|
1.0
|
|
CG
|
A:HIS231
|
4.1
|
9.2
|
1.0
|
|
ND1
|
A:HIS398
|
4.1
|
9.3
|
1.0
|
|
C3B
|
A:HEC602
|
4.3
|
8.6
|
1.0
|
|
C3D
|
A:HEC602
|
4.4
|
11.1
|
1.0
|
|
C3A
|
A:HEC602
|
4.4
|
9.7
|
1.0
|
|
C2D
|
A:HEC602
|
4.4
|
10.9
|
1.0
|
|
C2C
|
A:HEC602
|
4.4
|
8.9
|
1.0
|
|
C3C
|
A:HEC602
|
4.4
|
9.1
|
1.0
|
|
C2B
|
A:HEC602
|
4.4
|
8.8
|
1.0
|
|
C2A
|
A:HEC602
|
4.4
|
9.8
|
1.0
|
|
Iron binding site 3 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 3 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:8.8
occ:1.00
|
FE
|
A:HEC603
|
0.0
|
8.8
|
1.0
|
|
NE2
|
A:HIS119
|
1.9
|
8.4
|
1.0
|
|
NE2
|
A:HIS300
|
2.0
|
8.4
|
1.0
|
|
ND
|
A:HEC603
|
2.0
|
8.6
|
1.0
|
|
NB
|
A:HEC603
|
2.0
|
8.6
|
1.0
|
|
NA
|
A:HEC603
|
2.1
|
8.4
|
1.0
|
|
NC
|
A:HEC603
|
2.1
|
8.4
|
1.0
|
|
CE1
|
A:HIS119
|
2.9
|
8.7
|
1.0
|
|
CE1
|
A:HIS300
|
2.9
|
9.0
|
1.0
|
|
CD2
|
A:HIS300
|
3.0
|
8.5
|
1.0
|
|
CD2
|
A:HIS119
|
3.0
|
8.4
|
1.0
|
|
C4A
|
A:HEC603
|
3.1
|
8.8
|
1.0
|
|
C1D
|
A:HEC603
|
3.1
|
8.2
|
1.0
|
|
C4C
|
A:HEC603
|
3.1
|
8.4
|
1.0
|
|
C1A
|
A:HEC603
|
3.1
|
8.7
|
1.0
|
|
C1B
|
A:HEC603
|
3.1
|
8.9
|
1.0
|
|
C4D
|
A:HEC603
|
3.1
|
8.6
|
1.0
|
|
C1C
|
A:HEC603
|
3.1
|
8.3
|
1.0
|
|
C4B
|
A:HEC603
|
3.1
|
8.3
|
1.0
|
|
CHD
|
A:HEC603
|
3.4
|
8.4
|
1.0
|
|
CHB
|
A:HEC603
|
3.4
|
8.4
|
1.0
|
|
CHA
|
A:HEC603
|
3.4
|
8.2
|
1.0
|
|
CHC
|
A:HEC603
|
3.5
|
8.2
|
1.0
|
|
ND1
|
A:HIS119
|
4.0
|
8.4
|
1.0
|
|
ND1
|
A:HIS300
|
4.1
|
8.9
|
1.0
|
|
CG
|
A:HIS300
|
4.1
|
8.6
|
1.0
|
|
CG
|
A:HIS119
|
4.1
|
8.5
|
1.0
|
|
C3A
|
A:HEC603
|
4.4
|
8.4
|
1.0
|
|
C2D
|
A:HEC603
|
4.4
|
8.1
|
1.0
|
|
C3B
|
A:HEC603
|
4.4
|
8.3
|
1.0
|
|
C2A
|
A:HEC603
|
4.4
|
8.5
|
1.0
|
|
C3C
|
A:HEC603
|
4.4
|
8.0
|
1.0
|
|
C3D
|
A:HEC603
|
4.4
|
7.9
|
1.0
|
|
C2B
|
A:HEC603
|
4.4
|
8.6
|
1.0
|
|
C2C
|
A:HEC603
|
4.4
|
8.1
|
1.0
|
|
CMD
|
A:HEC601
|
4.9
|
8.4
|
1.0
|
|
Iron binding site 4 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 4 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe604
b:9.5
occ:1.00
|
FE
|
A:HEC604
|
0.0
|
9.5
|
1.0
|
|
NE2
|
A:HIS491
|
1.9
|
9.2
|
1.0
|
|
NE2
|
A:HIS383
|
2.0
|
9.2
|
1.0
|
|
NC
|
A:HEC604
|
2.0
|
9.1
|
1.0
|
|
NA
|
A:HEC604
|
2.0
|
9.3
|
1.0
|
|
NB
|
A:HEC604
|
2.1
|
9.1
|
1.0
|
|
ND
|
A:HEC604
|
2.1
|
8.8
|
1.0
|
|
CE1
|
A:HIS491
|
2.9
|
9.7
|
1.0
|
|
CE1
|
A:HIS383
|
2.9
|
9.2
|
1.0
|
|
CD2
|
A:HIS383
|
3.0
|
9.8
|
1.0
|
|
CD2
|
A:HIS491
|
3.0
|
9.3
|
1.0
|
|
C4B
|
A:HEC604
|
3.0
|
8.8
|
1.0
|
|
C1A
|
A:HEC604
|
3.0
|
9.1
|
1.0
|
|
C4C
|
A:HEC604
|
3.0
|
9.3
|
1.0
|
|
C1C
|
A:HEC604
|
3.1
|
9.0
|
1.0
|
|
C4D
|
A:HEC604
|
3.1
|
9.0
|
1.0
|
|
C1B
|
A:HEC604
|
3.1
|
8.9
|
1.0
|
|
C4A
|
A:HEC604
|
3.1
|
8.8
|
1.0
|
|
C1D
|
A:HEC604
|
3.1
|
9.1
|
1.0
|
|
CHC
|
A:HEC604
|
3.4
|
8.7
|
1.0
|
|
CHA
|
A:HEC604
|
3.4
|
8.8
|
1.0
|
|
CHB
|
A:HEC604
|
3.4
|
8.5
|
1.0
|
|
CHD
|
A:HEC604
|
3.4
|
8.8
|
1.0
|
|
ND1
|
A:HIS491
|
4.0
|
9.1
|
1.0
|
|
ND1
|
A:HIS383
|
4.1
|
9.2
|
1.0
|
|
CG
|
A:HIS491
|
4.1
|
9.6
|
1.0
|
|
CG
|
A:HIS383
|
4.1
|
9.7
|
1.0
|
|
C3B
|
A:HEC604
|
4.3
|
8.6
|
1.0
|
|
C2A
|
A:HEC604
|
4.3
|
9.1
|
1.0
|
|
C3C
|
A:HEC604
|
4.3
|
9.1
|
1.0
|
|
C2C
|
A:HEC604
|
4.4
|
9.2
|
1.0
|
|
C3A
|
A:HEC604
|
4.4
|
8.9
|
1.0
|
|
C3D
|
A:HEC604
|
4.4
|
8.6
|
1.0
|
|
C2B
|
A:HEC604
|
4.4
|
8.8
|
1.0
|
|
C2D
|
A:HEC604
|
4.4
|
8.8
|
1.0
|
|
Iron binding site 5 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 5 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe605
b:21.0
occ:1.00
|
FE
|
A:HEC605
|
0.0
|
21.0
|
1.0
|
|
NE2
|
A:HIS415
|
1.9
|
22.2
|
1.0
|
|
NE2
|
A:HIS372
|
2.0
|
18.3
|
1.0
|
|
NB
|
A:HEC605
|
2.1
|
20.5
|
1.0
|
|
NC
|
A:HEC605
|
2.1
|
22.1
|
1.0
|
|
ND
|
A:HEC605
|
2.1
|
28.2
|
1.0
|
|
NA
|
A:HEC605
|
2.1
|
26.2
|
1.0
|
|
CE1
|
A:HIS415
|
2.8
|
23.3
|
1.0
|
|
CE1
|
A:HIS372
|
2.9
|
18.2
|
1.0
|
|
CD2
|
A:HIS372
|
3.0
|
16.0
|
1.0
|
|
CD2
|
A:HIS415
|
3.0
|
21.3
|
1.0
|
|
C4B
|
A:HEC605
|
3.0
|
19.9
|
1.0
|
|
C1B
|
A:HEC605
|
3.1
|
21.3
|
1.0
|
|
C1C
|
A:HEC605
|
3.1
|
21.9
|
1.0
|
|
C4D
|
A:HEC605
|
3.1
|
30.4
|
1.0
|
|
C1A
|
A:HEC605
|
3.1
|
30.4
|
1.0
|
|
C1D
|
A:HEC605
|
3.1
|
31.2
|
1.0
|
|
C4A
|
A:HEC605
|
3.1
|
25.5
|
1.0
|
|
C4C
|
A:HEC605
|
3.1
|
26.3
|
1.0
|
|
CHC
|
A:HEC605
|
3.4
|
19.6
|
1.0
|
|
CHA
|
A:HEC605
|
3.4
|
29.6
|
1.0
|
|
CHB
|
A:HEC605
|
3.5
|
23.3
|
1.0
|
|
CHD
|
A:HEC605
|
3.5
|
28.7
|
1.0
|
|
ND1
|
A:HIS415
|
4.0
|
23.8
|
1.0
|
|
ND1
|
A:HIS372
|
4.1
|
16.9
|
1.0
|
|
CG
|
A:HIS372
|
4.1
|
16.1
|
1.0
|
|
CG
|
A:HIS415
|
4.1
|
21.0
|
1.0
|
|
C3B
|
A:HEC605
|
4.3
|
19.5
|
1.0
|
|
C2B
|
A:HEC605
|
4.4
|
21.4
|
1.0
|
|
C2C
|
A:HEC605
|
4.4
|
22.9
|
1.0
|
|
C3C
|
A:HEC605
|
4.4
|
25.9
|
1.0
|
|
C2D
|
A:HEC605
|
4.4
|
35.2
|
1.0
|
|
C3D
|
A:HEC605
|
4.4
|
33.8
|
1.0
|
|
C2A
|
A:HEC605
|
4.4
|
30.9
|
1.0
|
|
C3A
|
A:HEC605
|
4.5
|
30.1
|
1.0
|
|
Iron binding site 6 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 6 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe606
b:10.6
occ:1.00
|
FE
|
A:HEC606
|
0.0
|
10.6
|
1.0
|
|
NE2
|
A:HIS234
|
1.9
|
10.5
|
1.0
|
|
NE2
|
A:HIS39
|
1.9
|
9.6
|
1.0
|
|
NB
|
A:HEC606
|
2.1
|
11.0
|
1.0
|
|
ND
|
A:HEC606
|
2.1
|
10.8
|
1.0
|
|
NC
|
A:HEC606
|
2.1
|
10.4
|
1.0
|
|
NA
|
A:HEC606
|
2.1
|
10.9
|
1.0
|
|
CE1
|
A:HIS39
|
2.9
|
9.6
|
1.0
|
|
CD2
|
A:HIS234
|
2.9
|
9.7
|
1.0
|
|
CE1
|
A:HIS234
|
2.9
|
9.8
|
1.0
|
|
CD2
|
A:HIS39
|
2.9
|
9.5
|
1.0
|
|
C4C
|
A:HEC606
|
3.1
|
10.4
|
1.0
|
|
C1B
|
A:HEC606
|
3.1
|
11.1
|
1.0
|
|
C1C
|
A:HEC606
|
3.1
|
10.6
|
1.0
|
|
C1D
|
A:HEC606
|
3.1
|
10.7
|
1.0
|
|
C1A
|
A:HEC606
|
3.1
|
10.6
|
1.0
|
|
C4A
|
A:HEC606
|
3.1
|
10.5
|
1.0
|
|
C4D
|
A:HEC606
|
3.1
|
10.5
|
1.0
|
|
C4B
|
A:HEC606
|
3.1
|
10.7
|
1.0
|
|
CHD
|
A:HEC606
|
3.4
|
9.9
|
1.0
|
|
CHB
|
A:HEC606
|
3.4
|
10.9
|
1.0
|
|
CHC
|
A:HEC606
|
3.5
|
10.6
|
1.0
|
|
CHA
|
A:HEC606
|
3.5
|
10.5
|
1.0
|
|
ND1
|
A:HIS234
|
4.0
|
9.8
|
1.0
|
|
ND1
|
A:HIS39
|
4.0
|
10.0
|
1.0
|
|
CG
|
A:HIS234
|
4.1
|
9.4
|
1.0
|
|
CG
|
A:HIS39
|
4.1
|
10.1
|
1.0
|
|
C3C
|
A:HEC606
|
4.4
|
10.5
|
1.0
|
|
C2C
|
A:HEC606
|
4.4
|
10.7
|
1.0
|
|
C2A
|
A:HEC606
|
4.4
|
10.1
|
1.0
|
|
C2B
|
A:HEC606
|
4.4
|
11.2
|
1.0
|
|
C2D
|
A:HEC606
|
4.4
|
10.6
|
1.0
|
|
C3A
|
A:HEC606
|
4.4
|
10.1
|
1.0
|
|
C3B
|
A:HEC606
|
4.4
|
10.6
|
1.0
|
|
C3D
|
A:HEC606
|
4.4
|
10.8
|
1.0
|
|
Iron binding site 7 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 7 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe607
b:10.6
occ:1.00
|
FE
|
A:HEC607
|
0.0
|
10.6
|
1.0
|
|
NE2
|
A:HIS70
|
2.0
|
10.2
|
1.0
|
|
NE2
|
A:HIS30
|
2.0
|
10.7
|
1.0
|
|
NA
|
A:HEC607
|
2.0
|
10.8
|
1.0
|
|
ND
|
A:HEC607
|
2.0
|
11.1
|
1.0
|
|
NC
|
A:HEC607
|
2.1
|
9.8
|
1.0
|
|
NB
|
A:HEC607
|
2.1
|
10.4
|
1.0
|
|
CE1
|
A:HIS30
|
2.9
|
10.9
|
1.0
|
|
CE1
|
A:HIS70
|
2.9
|
10.2
|
1.0
|
|
CD2
|
A:HIS70
|
3.0
|
10.4
|
1.0
|
|
CD2
|
A:HIS30
|
3.0
|
10.1
|
1.0
|
|
C1D
|
A:HEC607
|
3.1
|
10.8
|
1.0
|
|
C4A
|
A:HEC607
|
3.1
|
10.3
|
1.0
|
|
C1B
|
A:HEC607
|
3.1
|
9.8
|
1.0
|
|
C4C
|
A:HEC607
|
3.1
|
10.4
|
1.0
|
|
C1A
|
A:HEC607
|
3.1
|
11.3
|
1.0
|
|
C4D
|
A:HEC607
|
3.1
|
11.4
|
1.0
|
|
C4B
|
A:HEC607
|
3.1
|
9.9
|
1.0
|
|
C1C
|
A:HEC607
|
3.1
|
9.7
|
1.0
|
|
CHB
|
A:HEC607
|
3.4
|
9.8
|
1.0
|
|
CHD
|
A:HEC607
|
3.4
|
10.2
|
1.0
|
|
CHC
|
A:HEC607
|
3.5
|
9.6
|
1.0
|
|
CHA
|
A:HEC607
|
3.5
|
11.4
|
1.0
|
|
ND1
|
A:HIS70
|
4.1
|
10.2
|
1.0
|
|
ND1
|
A:HIS30
|
4.1
|
10.5
|
1.0
|
|
CG
|
A:HIS70
|
4.1
|
10.3
|
1.0
|
|
CG
|
A:HIS30
|
4.2
|
10.7
|
1.0
|
|
C2D
|
A:HEC607
|
4.4
|
11.4
|
1.0
|
|
C3A
|
A:HEC607
|
4.4
|
11.0
|
1.0
|
|
C3B
|
A:HEC607
|
4.4
|
9.8
|
1.0
|
|
C2B
|
A:HEC607
|
4.4
|
10.0
|
1.0
|
|
C3D
|
A:HEC607
|
4.4
|
12.4
|
1.0
|
|
C2A
|
A:HEC607
|
4.4
|
11.4
|
1.0
|
|
C3C
|
A:HEC607
|
4.4
|
9.8
|
1.0
|
|
C2C
|
A:HEC607
|
4.4
|
9.9
|
1.0
|
|
Iron binding site 8 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 8 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe608
b:12.0
occ:1.00
|
FE
|
A:HEC608
|
0.0
|
12.0
|
1.0
|
|
NE2
|
A:HIS18
|
1.9
|
11.7
|
1.0
|
|
NE2
|
A:HIS44
|
1.9
|
11.3
|
1.0
|
|
NA
|
A:HEC608
|
2.1
|
12.0
|
1.0
|
|
ND
|
A:HEC608
|
2.1
|
12.4
|
1.0
|
|
NB
|
A:HEC608
|
2.1
|
12.4
|
1.0
|
|
NC
|
A:HEC608
|
2.1
|
12.5
|
1.0
|
|
CE1
|
A:HIS18
|
2.8
|
11.3
|
1.0
|
|
CE1
|
A:HIS44
|
2.9
|
11.7
|
1.0
|
|
CD2
|
A:HIS44
|
3.0
|
11.5
|
1.0
|
|
CD2
|
A:HIS18
|
3.0
|
12.0
|
1.0
|
|
C1D
|
A:HEC608
|
3.1
|
12.1
|
1.0
|
|
C4A
|
A:HEC608
|
3.1
|
11.6
|
1.0
|
|
C1A
|
A:HEC608
|
3.1
|
11.7
|
1.0
|
|
C1C
|
A:HEC608
|
3.1
|
12.9
|
1.0
|
|
C4D
|
A:HEC608
|
3.1
|
12.2
|
1.0
|
|
C4B
|
A:HEC608
|
3.1
|
12.8
|
1.0
|
|
C4C
|
A:HEC608
|
3.1
|
12.8
|
1.0
|
|
C1B
|
A:HEC608
|
3.1
|
12.6
|
1.0
|
|
CHD
|
A:HEC608
|
3.4
|
12.5
|
1.0
|
|
CHB
|
A:HEC608
|
3.4
|
11.5
|
1.0
|
|
CHC
|
A:HEC608
|
3.5
|
12.4
|
1.0
|
|
CHA
|
A:HEC608
|
3.5
|
11.5
|
1.0
|
|
ND1
|
A:HIS18
|
4.0
|
11.4
|
1.0
|
|
ND1
|
A:HIS44
|
4.0
|
11.6
|
1.0
|
|
CG
|
A:HIS44
|
4.1
|
11.2
|
1.0
|
|
CG
|
A:HIS18
|
4.1
|
11.8
|
1.0
|
|
C2D
|
A:HEC608
|
4.4
|
12.6
|
1.0
|
|
C3D
|
A:HEC608
|
4.4
|
12.4
|
1.0
|
|
C3A
|
A:HEC608
|
4.4
|
10.9
|
1.0
|
|
C2A
|
A:HEC608
|
4.4
|
10.9
|
1.0
|
|
C3B
|
A:HEC608
|
4.4
|
12.2
|
1.0
|
|
C3C
|
A:HEC608
|
4.4
|
13.3
|
1.0
|
|
C2C
|
A:HEC608
|
4.4
|
13.1
|
1.0
|
|
C2B
|
A:HEC608
|
4.4
|
11.7
|
1.0
|
|
CMA
|
A:HEC606
|
4.9
|
9.4
|
1.0
|
|
Iron binding site 9 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 9 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:8.8
occ:1.00
|
FE
|
B:HEC601
|
0.0
|
8.8
|
1.0
|
|
N
|
B:NO2609
|
1.9
|
10.1
|
0.5
|
|
NZ
|
B:LYS188
|
1.9
|
10.2
|
1.0
|
|
ND
|
B:HEC601
|
2.0
|
7.9
|
1.0
|
|
O
|
B:HOH1238
|
2.0
|
6.7
|
0.5
|
|
NC
|
B:HEC601
|
2.1
|
8.5
|
1.0
|
|
NA
|
B:HEC601
|
2.1
|
8.3
|
1.0
|
|
NB
|
B:HEC601
|
2.1
|
8.8
|
1.0
|
|
O2
|
B:NO2609
|
2.8
|
10.8
|
0.5
|
|
O1
|
B:NO2609
|
2.8
|
10.7
|
0.3
|
|
C4D
|
B:HEC601
|
3.0
|
7.5
|
1.0
|
|
C1C
|
B:HEC601
|
3.0
|
8.3
|
1.0
|
|
C1A
|
B:HEC601
|
3.1
|
8.1
|
1.0
|
|
C4B
|
B:HEC601
|
3.1
|
8.6
|
1.0
|
|
C1D
|
B:HEC601
|
3.1
|
7.6
|
1.0
|
|
CE
|
B:LYS188
|
3.1
|
9.8
|
1.0
|
|
C4C
|
B:HEC601
|
3.1
|
8.3
|
1.0
|
|
C4A
|
B:HEC601
|
3.1
|
8.4
|
1.0
|
|
C1B
|
B:HEC601
|
3.1
|
8.5
|
1.0
|
|
CHC
|
B:HEC601
|
3.4
|
8.3
|
1.0
|
|
CHA
|
B:HEC601
|
3.4
|
7.5
|
1.0
|
|
CHB
|
B:HEC601
|
3.5
|
8.0
|
1.0
|
|
CHD
|
B:HEC601
|
3.5
|
7.6
|
1.0
|
|
NE2
|
B:HIS361
|
4.3
|
10.6
|
1.0
|
|
C3D
|
B:HEC601
|
4.3
|
7.4
|
1.0
|
|
C2C
|
B:HEC601
|
4.4
|
8.5
|
1.0
|
|
C3B
|
B:HEC601
|
4.4
|
8.9
|
1.0
|
|
C3C
|
B:HEC601
|
4.4
|
8.1
|
1.0
|
|
C2D
|
B:HEC601
|
4.4
|
7.5
|
1.0
|
|
C2A
|
B:HEC601
|
4.4
|
8.0
|
1.0
|
|
C3A
|
B:HEC601
|
4.4
|
8.2
|
1.0
|
|
C2B
|
B:HEC601
|
4.4
|
8.5
|
1.0
|
|
CD
|
B:LYS188
|
4.5
|
8.6
|
1.0
|
|
O
|
B:HOH834
|
4.7
|
12.7
|
1.0
|
|
O
|
B:HOH948
|
4.7
|
9.3
|
0.5
|
|
CMD
|
B:HEC603
|
4.8
|
6.5
|
1.0
|
|
OH
|
B:TYR303
|
4.8
|
15.0
|
1.0
|
|
NH2
|
B:ARG131
|
5.0
|
7.8
|
1.0
|
|
Iron binding site 10 out
of 16 in 4l3x
Go back to
Iron Binding Sites List in 4l3x
Iron binding site 10 out
of 16 in the Nitrite Complex of Tvnir, First Middle Dose Data Set
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Nitrite Complex of Tvnir, First Middle Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:9.1
occ:1.00
|
FE
|
B:HEC602
|
0.0
|
9.1
|
1.0
|
|
NE2
|
B:HIS398
|
2.0
|
9.4
|
1.0
|
|
NE2
|
B:HIS231
|
2.0
|
8.3
|
1.0
|
|
ND
|
B:HEC602
|
2.0
|
9.1
|
1.0
|
|
NB
|
B:HEC602
|
2.0
|
8.9
|
1.0
|
|
NC
|
B:HEC602
|
2.0
|
8.6
|
1.0
|
|
NA
|
B:HEC602
|
2.1
|
8.7
|
1.0
|
|
CD2
|
B:HIS398
|
2.9
|
9.0
|
1.0
|
|
CD2
|
B:HIS231
|
3.0
|
8.4
|
1.0
|
|
CE1
|
B:HIS231
|
3.0
|
8.5
|
1.0
|
|
CE1
|
B:HIS398
|
3.0
|
9.8
|
1.0
|
|
C1D
|
B:HEC602
|
3.0
|
9.5
|
1.0
|
|
C4B
|
B:HEC602
|
3.0
|
8.4
|
1.0
|
|
C1B
|
B:HEC602
|
3.0
|
8.9
|
1.0
|
|
C4C
|
B:HEC602
|
3.0
|
8.5
|
1.0
|
|
C4D
|
B:HEC602
|
3.0
|
9.8
|
1.0
|
|
C1C
|
B:HEC602
|
3.1
|
8.3
|
1.0
|
|
C4A
|
B:HEC602
|
3.1
|
8.6
|
1.0
|
|
C1A
|
B:HEC602
|
3.1
|
8.7
|
1.0
|
|
CHD
|
B:HEC602
|
3.4
|
8.8
|
1.0
|
|
CHB
|
B:HEC602
|
3.4
|
8.6
|
1.0
|
|
CHC
|
B:HEC602
|
3.4
|
7.8
|
1.0
|
|
CHA
|
B:HEC602
|
3.4
|
8.6
|
1.0
|
|
ND1
|
B:HIS231
|
4.1
|
8.6
|
1.0
|
|
ND1
|
B:HIS398
|
4.1
|
9.7
|
1.0
|
|
CG
|
B:HIS398
|
4.1
|
9.4
|
1.0
|
|
CG
|
B:HIS231
|
4.1
|
8.4
|
1.0
|
|
C3B
|
B:HEC602
|
4.3
|
8.2
|
1.0
|
|
C3D
|
B:HEC602
|
4.3
|
10.5
|
1.0
|
|
C2D
|
B:HEC602
|
4.3
|
10.0
|
1.0
|
|
C2B
|
B:HEC602
|
4.3
|
8.7
|
1.0
|
|
C3C
|
B:HEC602
|
4.3
|
8.4
|
1.0
|
|
C2C
|
B:HEC602
|
4.4
|
8.4
|
1.0
|
|
C3A
|
B:HEC602
|
4.4
|
8.6
|
1.0
|
|
C2A
|
B:HEC602
|
4.4
|
8.9
|
1.0
|
|
Reference:
A.A.Trofimov,
K.M.Polyakov,
V.A.Lazarenko,
A.N.Popov,
T.V.Tikhonova,
A.V.Tikhonov,
V.O.Popov.
Investigation of the X-Ray-Induced Nitrite Reduction Catalysed By Cytochrome C Nitrite Reductase From the Bacterium Thioalkalivibrio Nitratireducens To Be Published.
Page generated: Mon Aug 5 06:06:06 2024
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