Iron in PDB 3f29: Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
Protein crystallography data
The structure of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite, PDB code: 3f29
was solved by
A.A.Trofimov,
K.M.Polyakov,
K.M.Boyko,
A.Slutsky,
T.V.Tikhonova,
A.N.Antipov,
R.A.Zvyagilskaya,
A.N.Popov,
V.S.Lamzin,
G.P.Bourenkov,
V.O.Popov,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
19.97 /
2.00
|
|
Space group
|
P 21 3
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
193.568,
193.568,
193.568,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.4 /
17.4
|
Other elements in 3f29:
The structure of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite 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 Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
(pdb code 3f29). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the
Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite, PDB code: 3f29:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 1 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1004
b:16.6
occ:1.00
|
FE
|
A:HEC1004
|
0.0
|
16.6
|
1.0
|
|
NZ
|
A:LYS188
|
1.9
|
18.4
|
1.0
|
|
NA
|
A:HEC1004
|
2.0
|
16.0
|
1.0
|
|
O
|
A:HOH536
|
2.0
|
17.1
|
0.5
|
|
NB
|
A:HEC1004
|
2.1
|
16.8
|
1.0
|
|
NC
|
A:HEC1004
|
2.1
|
16.4
|
1.0
|
|
ND
|
A:HEC1004
|
2.1
|
14.6
|
1.0
|
|
S
|
A:SO3526
|
2.3
|
22.4
|
0.5
|
|
O2
|
A:SO3526
|
2.9
|
24.0
|
0.5
|
|
C1A
|
A:HEC1004
|
3.0
|
16.7
|
1.0
|
|
CE
|
A:LYS188
|
3.0
|
17.3
|
1.0
|
|
C4B
|
A:HEC1004
|
3.0
|
17.7
|
1.0
|
|
C1C
|
A:HEC1004
|
3.0
|
16.8
|
1.0
|
|
C4D
|
A:HEC1004
|
3.1
|
15.0
|
1.0
|
|
C4A
|
A:HEC1004
|
3.1
|
16.5
|
1.0
|
|
C1B
|
A:HEC1004
|
3.1
|
17.6
|
1.0
|
|
C1D
|
A:HEC1004
|
3.1
|
15.6
|
1.0
|
|
C4C
|
A:HEC1004
|
3.1
|
15.9
|
1.0
|
|
O1
|
A:SO3526
|
3.2
|
25.1
|
0.5
|
|
CHC
|
A:HEC1004
|
3.4
|
16.2
|
1.0
|
|
O3
|
A:SO3526
|
3.4
|
22.9
|
0.5
|
|
CHA
|
A:HEC1004
|
3.4
|
14.8
|
1.0
|
|
CHB
|
A:HEC1004
|
3.5
|
16.9
|
1.0
|
|
CHD
|
A:HEC1004
|
3.5
|
15.6
|
1.0
|
|
C2A
|
A:HEC1004
|
4.2
|
16.3
|
1.0
|
|
C3A
|
A:HEC1004
|
4.3
|
16.8
|
1.0
|
|
C3B
|
A:HEC1004
|
4.3
|
17.4
|
1.0
|
|
C2B
|
A:HEC1004
|
4.3
|
16.6
|
1.0
|
|
C2C
|
A:HEC1004
|
4.3
|
16.2
|
1.0
|
|
C3D
|
A:HEC1004
|
4.3
|
14.3
|
1.0
|
|
C2D
|
A:HEC1004
|
4.3
|
14.3
|
1.0
|
|
C3C
|
A:HEC1004
|
4.3
|
15.6
|
1.0
|
|
NE2
|
A:HIS361
|
4.4
|
17.6
|
1.0
|
|
CD
|
A:LYS188
|
4.4
|
17.0
|
1.0
|
|
O
|
A:HOH690
|
4.7
|
22.1
|
1.0
|
|
OH
|
A:TYR303
|
4.8
|
22.3
|
1.0
|
|
NH2
|
A:ARG131
|
4.9
|
17.4
|
1.0
|
|
CMD
|
A:HEC1006
|
4.9
|
12.4
|
1.0
|
|
O
|
A:HOH679
|
4.9
|
24.4
|
1.0
|
|
Iron binding site 2 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 2 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1005
b:15.3
occ:1.00
|
FE
|
A:HEC1005
|
0.0
|
15.3
|
1.0
|
|
NE2
|
A:HIS398
|
1.9
|
14.9
|
1.0
|
|
NE2
|
A:HIS231
|
1.9
|
15.4
|
1.0
|
|
NA
|
A:HEC1005
|
2.0
|
15.1
|
1.0
|
|
NB
|
A:HEC1005
|
2.0
|
14.1
|
1.0
|
|
ND
|
A:HEC1005
|
2.0
|
15.3
|
1.0
|
|
NC
|
A:HEC1005
|
2.0
|
14.7
|
1.0
|
|
CE1
|
A:HIS231
|
2.9
|
14.2
|
1.0
|
|
CD2
|
A:HIS398
|
2.9
|
14.1
|
1.0
|
|
CE1
|
A:HIS398
|
2.9
|
15.6
|
1.0
|
|
CD2
|
A:HIS231
|
3.0
|
14.8
|
1.0
|
|
C4A
|
A:HEC1005
|
3.0
|
15.2
|
1.0
|
|
C1A
|
A:HEC1005
|
3.0
|
15.6
|
1.0
|
|
C1D
|
A:HEC1005
|
3.0
|
15.2
|
1.0
|
|
C1B
|
A:HEC1005
|
3.0
|
14.7
|
1.0
|
|
C4D
|
A:HEC1005
|
3.1
|
16.8
|
1.0
|
|
C1C
|
A:HEC1005
|
3.1
|
14.7
|
1.0
|
|
C4B
|
A:HEC1005
|
3.1
|
14.7
|
1.0
|
|
C4C
|
A:HEC1005
|
3.1
|
13.2
|
1.0
|
|
CHB
|
A:HEC1005
|
3.4
|
14.4
|
1.0
|
|
CHD
|
A:HEC1005
|
3.4
|
14.8
|
1.0
|
|
CHA
|
A:HEC1005
|
3.4
|
15.1
|
1.0
|
|
CHC
|
A:HEC1005
|
3.4
|
14.4
|
1.0
|
|
ND1
|
A:HIS231
|
4.0
|
15.4
|
1.0
|
|
ND1
|
A:HIS398
|
4.0
|
15.5
|
1.0
|
|
CG
|
A:HIS398
|
4.1
|
15.8
|
1.0
|
|
CG
|
A:HIS231
|
4.1
|
13.9
|
1.0
|
|
C3A
|
A:HEC1005
|
4.2
|
14.8
|
1.0
|
|
C2A
|
A:HEC1005
|
4.3
|
15.4
|
1.0
|
|
C2B
|
A:HEC1005
|
4.3
|
14.5
|
1.0
|
|
C3D
|
A:HEC1005
|
4.3
|
15.5
|
1.0
|
|
C2D
|
A:HEC1005
|
4.3
|
15.8
|
1.0
|
|
C2C
|
A:HEC1005
|
4.3
|
13.6
|
1.0
|
|
C3B
|
A:HEC1005
|
4.3
|
13.7
|
1.0
|
|
C3C
|
A:HEC1005
|
4.3
|
13.6
|
1.0
|
|
Iron binding site 3 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 3 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1006
b:13.6
occ:1.00
|
FE
|
A:HEC1006
|
0.0
|
13.6
|
1.0
|
|
NE2
|
A:HIS119
|
1.9
|
12.2
|
1.0
|
|
NE2
|
A:HIS300
|
1.9
|
13.5
|
1.0
|
|
ND
|
A:HEC1006
|
2.0
|
12.7
|
1.0
|
|
NB
|
A:HEC1006
|
2.0
|
12.9
|
1.0
|
|
NA
|
A:HEC1006
|
2.0
|
12.9
|
1.0
|
|
NC
|
A:HEC1006
|
2.1
|
13.5
|
1.0
|
|
CE1
|
A:HIS119
|
2.8
|
12.8
|
1.0
|
|
CE1
|
A:HIS300
|
2.9
|
15.6
|
1.0
|
|
CD2
|
A:HIS300
|
3.0
|
15.0
|
1.0
|
|
C1D
|
A:HEC1006
|
3.0
|
14.1
|
1.0
|
|
CD2
|
A:HIS119
|
3.0
|
12.3
|
1.0
|
|
C1B
|
A:HEC1006
|
3.0
|
14.5
|
1.0
|
|
C4D
|
A:HEC1006
|
3.1
|
15.2
|
1.0
|
|
C4B
|
A:HEC1006
|
3.1
|
14.2
|
1.0
|
|
C4A
|
A:HEC1006
|
3.1
|
13.9
|
1.0
|
|
C1A
|
A:HEC1006
|
3.1
|
13.2
|
1.0
|
|
C1C
|
A:HEC1006
|
3.1
|
14.2
|
1.0
|
|
C4C
|
A:HEC1006
|
3.1
|
14.3
|
1.0
|
|
CHD
|
A:HEC1006
|
3.4
|
13.7
|
1.0
|
|
CHC
|
A:HEC1006
|
3.4
|
14.0
|
1.0
|
|
CHB
|
A:HEC1006
|
3.4
|
13.6
|
1.0
|
|
CHA
|
A:HEC1006
|
3.4
|
12.9
|
1.0
|
|
ND1
|
A:HIS119
|
4.0
|
13.3
|
1.0
|
|
ND1
|
A:HIS300
|
4.0
|
14.6
|
1.0
|
|
CG
|
A:HIS300
|
4.1
|
15.0
|
1.0
|
|
CG
|
A:HIS119
|
4.1
|
13.3
|
1.0
|
|
C2B
|
A:HEC1006
|
4.3
|
13.8
|
1.0
|
|
C2D
|
A:HEC1006
|
4.3
|
13.1
|
1.0
|
|
C2A
|
A:HEC1006
|
4.3
|
12.7
|
1.0
|
|
C3A
|
A:HEC1006
|
4.3
|
12.6
|
1.0
|
|
C3B
|
A:HEC1006
|
4.3
|
13.6
|
1.0
|
|
C2C
|
A:HEC1006
|
4.3
|
13.2
|
1.0
|
|
C3D
|
A:HEC1006
|
4.3
|
12.9
|
1.0
|
|
C3C
|
A:HEC1006
|
4.3
|
13.8
|
1.0
|
|
CMD
|
A:HEC1004
|
5.0
|
12.3
|
1.0
|
|
Iron binding site 4 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 4 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1007
b:15.1
occ:1.00
|
FE
|
A:HEC1007
|
0.0
|
15.1
|
1.0
|
|
NE2
|
A:HIS491
|
1.9
|
12.3
|
1.0
|
|
NE2
|
A:HIS383
|
1.9
|
14.8
|
1.0
|
|
NC
|
A:HEC1007
|
2.0
|
14.9
|
1.0
|
|
NA
|
A:HEC1007
|
2.0
|
14.2
|
1.0
|
|
NB
|
A:HEC1007
|
2.0
|
14.5
|
1.0
|
|
ND
|
A:HEC1007
|
2.1
|
14.4
|
1.0
|
|
CE1
|
A:HIS491
|
2.8
|
12.5
|
1.0
|
|
CE1
|
A:HIS383
|
2.9
|
13.1
|
1.0
|
|
CD2
|
A:HIS383
|
3.0
|
15.0
|
1.0
|
|
C1C
|
A:HEC1007
|
3.0
|
16.3
|
1.0
|
|
C4B
|
A:HEC1007
|
3.0
|
14.1
|
1.0
|
|
C4A
|
A:HEC1007
|
3.0
|
14.5
|
1.0
|
|
CD2
|
A:HIS491
|
3.0
|
12.4
|
1.0
|
|
C1B
|
A:HEC1007
|
3.0
|
15.1
|
1.0
|
|
C1A
|
A:HEC1007
|
3.0
|
14.8
|
1.0
|
|
C4C
|
A:HEC1007
|
3.1
|
16.1
|
1.0
|
|
C4D
|
A:HEC1007
|
3.1
|
15.0
|
1.0
|
|
C1D
|
A:HEC1007
|
3.1
|
15.7
|
1.0
|
|
CHC
|
A:HEC1007
|
3.4
|
15.9
|
1.0
|
|
CHB
|
A:HEC1007
|
3.4
|
15.5
|
1.0
|
|
CHA
|
A:HEC1007
|
3.4
|
13.9
|
1.0
|
|
CHD
|
A:HEC1007
|
3.5
|
15.2
|
1.0
|
|
ND1
|
A:HIS491
|
4.0
|
13.1
|
1.0
|
|
ND1
|
A:HIS383
|
4.0
|
14.2
|
1.0
|
|
CG
|
A:HIS383
|
4.1
|
15.7
|
1.0
|
|
CG
|
A:HIS491
|
4.1
|
14.1
|
1.0
|
|
C2C
|
A:HEC1007
|
4.2
|
15.2
|
1.0
|
|
C3A
|
A:HEC1007
|
4.2
|
14.3
|
1.0
|
|
C2A
|
A:HEC1007
|
4.2
|
14.6
|
1.0
|
|
C2B
|
A:HEC1007
|
4.2
|
15.7
|
1.0
|
|
C3B
|
A:HEC1007
|
4.3
|
14.3
|
1.0
|
|
C3C
|
A:HEC1007
|
4.3
|
16.1
|
1.0
|
|
C3D
|
A:HEC1007
|
4.3
|
14.4
|
1.0
|
|
C2D
|
A:HEC1007
|
4.3
|
15.5
|
1.0
|
|
Iron binding site 5 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 5 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1008
b:24.9
occ:1.00
|
FE
|
A:HEC1008
|
0.0
|
24.9
|
1.0
|
|
NE2
|
A:HIS415
|
1.9
|
28.4
|
1.0
|
|
NE2
|
A:HIS372
|
1.9
|
22.1
|
1.0
|
|
ND
|
A:HEC1008
|
2.0
|
28.8
|
1.0
|
|
NB
|
A:HEC1008
|
2.0
|
25.8
|
1.0
|
|
NA
|
A:HEC1008
|
2.1
|
26.8
|
1.0
|
|
NC
|
A:HEC1008
|
2.1
|
26.6
|
1.0
|
|
CE1
|
A:HIS415
|
2.8
|
30.8
|
1.0
|
|
CE1
|
A:HIS372
|
2.9
|
21.6
|
1.0
|
|
CD2
|
A:HIS372
|
2.9
|
20.2
|
1.0
|
|
CD2
|
A:HIS415
|
3.0
|
30.4
|
1.0
|
|
C4D
|
A:HEC1008
|
3.0
|
30.5
|
1.0
|
|
C1B
|
A:HEC1008
|
3.1
|
26.2
|
1.0
|
|
C1A
|
A:HEC1008
|
3.1
|
29.2
|
1.0
|
|
C1D
|
A:HEC1008
|
3.1
|
30.8
|
1.0
|
|
C4A
|
A:HEC1008
|
3.1
|
27.2
|
1.0
|
|
C4B
|
A:HEC1008
|
3.1
|
26.2
|
1.0
|
|
C1C
|
A:HEC1008
|
3.1
|
27.7
|
1.0
|
|
C4C
|
A:HEC1008
|
3.1
|
28.4
|
1.0
|
|
CHA
|
A:HEC1008
|
3.4
|
29.7
|
1.0
|
|
CHB
|
A:HEC1008
|
3.4
|
27.7
|
1.0
|
|
CHC
|
A:HEC1008
|
3.4
|
27.4
|
1.0
|
|
CHD
|
A:HEC1008
|
3.5
|
29.7
|
1.0
|
|
ND1
|
A:HIS415
|
3.9
|
32.1
|
1.0
|
|
ND1
|
A:HIS372
|
4.0
|
20.5
|
1.0
|
|
CG
|
A:HIS372
|
4.1
|
20.4
|
1.0
|
|
CG
|
A:HIS415
|
4.1
|
30.4
|
1.0
|
|
C2B
|
A:HEC1008
|
4.3
|
27.7
|
1.0
|
|
C3D
|
A:HEC1008
|
4.3
|
33.1
|
1.0
|
|
C2A
|
A:HEC1008
|
4.3
|
28.9
|
1.0
|
|
C3A
|
A:HEC1008
|
4.3
|
28.7
|
1.0
|
|
C3B
|
A:HEC1008
|
4.3
|
25.6
|
1.0
|
|
C2D
|
A:HEC1008
|
4.3
|
32.6
|
1.0
|
|
C2C
|
A:HEC1008
|
4.3
|
27.3
|
1.0
|
|
C3C
|
A:HEC1008
|
4.4
|
27.4
|
1.0
|
|
Iron binding site 6 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 6 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1002
b:15.9
occ:1.00
|
FE
|
A:HEC1002
|
0.0
|
15.9
|
1.0
|
|
NE2
|
A:HIS234
|
1.9
|
12.6
|
1.0
|
|
NE2
|
A:HIS39
|
1.9
|
15.2
|
1.0
|
|
NC
|
A:HEC1002
|
2.0
|
16.8
|
1.0
|
|
NB
|
A:HEC1002
|
2.1
|
15.5
|
1.0
|
|
NA
|
A:HEC1002
|
2.1
|
16.1
|
1.0
|
|
ND
|
A:HEC1002
|
2.1
|
15.7
|
1.0
|
|
CE1
|
A:HIS39
|
2.8
|
15.0
|
1.0
|
|
CE1
|
A:HIS234
|
2.8
|
13.4
|
1.0
|
|
CD2
|
A:HIS234
|
2.9
|
12.8
|
1.0
|
|
CD2
|
A:HIS39
|
2.9
|
15.5
|
1.0
|
|
C4C
|
A:HEC1002
|
3.0
|
17.8
|
1.0
|
|
C1B
|
A:HEC1002
|
3.1
|
17.2
|
1.0
|
|
C1D
|
A:HEC1002
|
3.1
|
16.8
|
1.0
|
|
C4A
|
A:HEC1002
|
3.1
|
17.3
|
1.0
|
|
C1C
|
A:HEC1002
|
3.1
|
17.5
|
1.0
|
|
C4B
|
A:HEC1002
|
3.1
|
17.4
|
1.0
|
|
C1A
|
A:HEC1002
|
3.1
|
16.6
|
1.0
|
|
C4D
|
A:HEC1002
|
3.1
|
17.1
|
1.0
|
|
CHD
|
A:HEC1002
|
3.4
|
16.0
|
1.0
|
|
CHB
|
A:HEC1002
|
3.4
|
15.9
|
1.0
|
|
CHC
|
A:HEC1002
|
3.5
|
16.5
|
1.0
|
|
CHA
|
A:HEC1002
|
3.5
|
15.8
|
1.0
|
|
ND1
|
A:HIS39
|
4.0
|
15.6
|
1.0
|
|
ND1
|
A:HIS234
|
4.0
|
12.4
|
1.0
|
|
CG
|
A:HIS234
|
4.0
|
13.0
|
1.0
|
|
CG
|
A:HIS39
|
4.0
|
15.0
|
1.0
|
|
C2C
|
A:HEC1002
|
4.3
|
17.6
|
1.0
|
|
C3C
|
A:HEC1002
|
4.3
|
16.9
|
1.0
|
|
C2B
|
A:HEC1002
|
4.3
|
16.9
|
1.0
|
|
C3A
|
A:HEC1002
|
4.3
|
16.7
|
1.0
|
|
C2A
|
A:HEC1002
|
4.3
|
16.5
|
1.0
|
|
C2D
|
A:HEC1002
|
4.3
|
16.6
|
1.0
|
|
C3B
|
A:HEC1002
|
4.3
|
16.7
|
1.0
|
|
C3D
|
A:HEC1002
|
4.4
|
16.2
|
1.0
|
|
Iron binding site 7 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 7 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1003
b:14.9
occ:1.00
|
FE
|
A:HEC1003
|
0.0
|
14.9
|
1.0
|
|
NE2
|
A:HIS70
|
1.9
|
15.9
|
1.0
|
|
NE2
|
A:HIS30
|
1.9
|
16.8
|
1.0
|
|
NA
|
A:HEC1003
|
2.0
|
13.5
|
1.0
|
|
ND
|
A:HEC1003
|
2.0
|
15.0
|
1.0
|
|
NB
|
A:HEC1003
|
2.0
|
13.1
|
1.0
|
|
NC
|
A:HEC1003
|
2.1
|
14.3
|
1.0
|
|
CE1
|
A:HIS30
|
2.9
|
18.0
|
1.0
|
|
CE1
|
A:HIS70
|
2.9
|
15.5
|
1.0
|
|
CD2
|
A:HIS70
|
2.9
|
14.4
|
1.0
|
|
C4A
|
A:HEC1003
|
3.0
|
14.5
|
1.0
|
|
CD2
|
A:HIS30
|
3.0
|
16.2
|
1.0
|
|
C1B
|
A:HEC1003
|
3.0
|
13.7
|
1.0
|
|
C1D
|
A:HEC1003
|
3.0
|
15.9
|
1.0
|
|
C4D
|
A:HEC1003
|
3.1
|
16.6
|
1.0
|
|
C1A
|
A:HEC1003
|
3.1
|
15.1
|
1.0
|
|
C4C
|
A:HEC1003
|
3.1
|
15.5
|
1.0
|
|
C4B
|
A:HEC1003
|
3.1
|
15.1
|
1.0
|
|
C1C
|
A:HEC1003
|
3.1
|
14.9
|
1.0
|
|
CHB
|
A:HEC1003
|
3.3
|
14.9
|
1.0
|
|
CHD
|
A:HEC1003
|
3.4
|
15.8
|
1.0
|
|
CHA
|
A:HEC1003
|
3.5
|
15.8
|
1.0
|
|
CHC
|
A:HEC1003
|
3.5
|
14.6
|
1.0
|
|
ND1
|
A:HIS30
|
4.0
|
16.8
|
1.0
|
|
ND1
|
A:HIS70
|
4.0
|
14.4
|
1.0
|
|
CG
|
A:HIS70
|
4.1
|
14.6
|
1.0
|
|
CG
|
A:HIS30
|
4.1
|
16.5
|
1.0
|
|
C2B
|
A:HEC1003
|
4.2
|
15.3
|
1.0
|
|
C3A
|
A:HEC1003
|
4.2
|
14.4
|
1.0
|
|
C2D
|
A:HEC1003
|
4.3
|
15.3
|
1.0
|
|
C2A
|
A:HEC1003
|
4.3
|
13.4
|
1.0
|
|
C3D
|
A:HEC1003
|
4.3
|
15.9
|
1.0
|
|
C3B
|
A:HEC1003
|
4.3
|
13.6
|
1.0
|
|
C2C
|
A:HEC1003
|
4.3
|
14.7
|
1.0
|
|
C3C
|
A:HEC1003
|
4.3
|
14.5
|
1.0
|
|
Iron binding site 8 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 8 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1001
b:17.7
occ:1.00
|
FE
|
A:HEC1001
|
0.0
|
17.7
|
1.0
|
|
NE2
|
A:HIS18
|
1.9
|
16.5
|
1.0
|
|
NE2
|
A:HIS44
|
1.9
|
17.2
|
1.0
|
|
ND
|
A:HEC1001
|
2.1
|
18.8
|
1.0
|
|
NA
|
A:HEC1001
|
2.1
|
19.0
|
1.0
|
|
NB
|
A:HEC1001
|
2.1
|
19.3
|
1.0
|
|
NC
|
A:HEC1001
|
2.1
|
19.2
|
1.0
|
|
CE1
|
A:HIS18
|
2.8
|
17.5
|
1.0
|
|
CE1
|
A:HIS44
|
2.9
|
19.2
|
1.0
|
|
CD2
|
A:HIS44
|
2.9
|
18.8
|
1.0
|
|
CD2
|
A:HIS18
|
3.0
|
18.8
|
1.0
|
|
C1D
|
A:HEC1001
|
3.0
|
20.6
|
1.0
|
|
C4A
|
A:HEC1001
|
3.1
|
19.7
|
1.0
|
|
C1B
|
A:HEC1001
|
3.1
|
20.3
|
1.0
|
|
C4C
|
A:HEC1001
|
3.1
|
20.6
|
1.0
|
|
C4D
|
A:HEC1001
|
3.1
|
20.9
|
1.0
|
|
C1A
|
A:HEC1001
|
3.1
|
19.1
|
1.0
|
|
C1C
|
A:HEC1001
|
3.1
|
20.3
|
1.0
|
|
C4B
|
A:HEC1001
|
3.1
|
20.1
|
1.0
|
|
CHD
|
A:HEC1001
|
3.4
|
19.5
|
1.0
|
|
CHB
|
A:HEC1001
|
3.4
|
19.4
|
1.0
|
|
CHA
|
A:HEC1001
|
3.5
|
19.4
|
1.0
|
|
CHC
|
A:HEC1001
|
3.5
|
19.4
|
1.0
|
|
ND1
|
A:HIS18
|
3.9
|
15.6
|
1.0
|
|
ND1
|
A:HIS44
|
4.0
|
19.1
|
1.0
|
|
CG
|
A:HIS44
|
4.0
|
19.5
|
1.0
|
|
CG
|
A:HIS18
|
4.1
|
18.0
|
1.0
|
|
C2D
|
A:HEC1001
|
4.3
|
19.2
|
1.0
|
|
C3A
|
A:HEC1001
|
4.3
|
18.7
|
1.0
|
|
C3D
|
A:HEC1001
|
4.3
|
20.1
|
1.0
|
|
C2A
|
A:HEC1001
|
4.3
|
19.0
|
1.0
|
|
C2B
|
A:HEC1001
|
4.3
|
19.4
|
1.0
|
|
C2C
|
A:HEC1001
|
4.3
|
21.0
|
1.0
|
|
C3C
|
A:HEC1001
|
4.3
|
20.4
|
1.0
|
|
C3B
|
A:HEC1001
|
4.4
|
19.3
|
1.0
|
|
CMA
|
A:HEC1002
|
5.0
|
16.7
|
1.0
|
|
Iron binding site 9 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 9 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1004
b:15.9
occ:1.00
|
FE
|
B:HEC1004
|
0.0
|
15.9
|
1.0
|
|
NZ
|
B:LYS188
|
1.9
|
17.8
|
1.0
|
|
NC
|
B:HEC1004
|
2.0
|
14.8
|
1.0
|
|
NA
|
B:HEC1004
|
2.0
|
15.4
|
1.0
|
|
O
|
B:HOH537
|
2.0
|
15.5
|
0.5
|
|
ND
|
B:HEC1004
|
2.1
|
13.9
|
1.0
|
|
NB
|
B:HEC1004
|
2.1
|
15.0
|
1.0
|
|
S
|
B:SO3526
|
2.3
|
20.2
|
0.5
|
|
O1
|
B:SO3526
|
3.0
|
25.7
|
0.5
|
|
C1A
|
B:HEC1004
|
3.0
|
15.7
|
1.0
|
|
C1C
|
B:HEC1004
|
3.0
|
15.8
|
1.0
|
|
CE
|
B:LYS188
|
3.0
|
17.6
|
1.0
|
|
C4D
|
B:HEC1004
|
3.0
|
14.2
|
1.0
|
|
C4B
|
B:HEC1004
|
3.1
|
16.4
|
1.0
|
|
O2
|
B:SO3526
|
3.1
|
22.8
|
0.5
|
|
C4C
|
B:HEC1004
|
3.1
|
16.3
|
1.0
|
|
C1D
|
B:HEC1004
|
3.1
|
14.4
|
1.0
|
|
C4A
|
B:HEC1004
|
3.1
|
15.2
|
1.0
|
|
C1B
|
B:HEC1004
|
3.1
|
16.3
|
1.0
|
|
CHA
|
B:HEC1004
|
3.4
|
13.8
|
1.0
|
|
CHC
|
B:HEC1004
|
3.4
|
15.2
|
1.0
|
|
O3
|
B:SO3526
|
3.4
|
21.3
|
0.5
|
|
CHD
|
B:HEC1004
|
3.4
|
14.7
|
1.0
|
|
CHB
|
B:HEC1004
|
3.5
|
15.7
|
1.0
|
|
C2A
|
B:HEC1004
|
4.3
|
15.3
|
1.0
|
|
C3A
|
B:HEC1004
|
4.3
|
16.2
|
1.0
|
|
C2C
|
B:HEC1004
|
4.3
|
15.7
|
1.0
|
|
NE2
|
B:HIS361
|
4.3
|
17.2
|
1.0
|
|
C3C
|
B:HEC1004
|
4.3
|
15.3
|
1.0
|
|
C3D
|
B:HEC1004
|
4.3
|
13.0
|
1.0
|
|
C2D
|
B:HEC1004
|
4.3
|
13.0
|
1.0
|
|
C3B
|
B:HEC1004
|
4.3
|
16.7
|
1.0
|
|
C2B
|
B:HEC1004
|
4.3
|
15.5
|
1.0
|
|
CD
|
B:LYS188
|
4.4
|
16.6
|
1.0
|
|
O
|
B:HOH801
|
4.8
|
23.1
|
1.0
|
|
OH
|
B:TYR303
|
4.8
|
19.8
|
1.0
|
|
CMD
|
B:HEC1006
|
4.9
|
12.4
|
1.0
|
|
O
|
B:HOH790
|
4.9
|
22.2
|
1.0
|
|
NH2
|
B:ARG131
|
4.9
|
16.3
|
1.0
|
|
Iron binding site 10 out
of 16 in 3f29
Go back to
Iron Binding Sites List in 3f29
Iron binding site 10 out
of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in Complex with Sulfite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1005
b:15.2
occ:1.00
|
FE
|
B:HEC1005
|
0.0
|
15.2
|
1.0
|
|
NE2
|
B:HIS231
|
1.9
|
15.3
|
1.0
|
|
NE2
|
B:HIS398
|
1.9
|
14.9
|
1.0
|
|
ND
|
B:HEC1005
|
2.0
|
15.2
|
1.0
|
|
NB
|
B:HEC1005
|
2.0
|
14.7
|
1.0
|
|
NA
|
B:HEC1005
|
2.0
|
14.7
|
1.0
|
|
NC
|
B:HEC1005
|
2.0
|
14.9
|
1.0
|
|
CE1
|
B:HIS231
|
2.9
|
14.9
|
1.0
|
|
CE1
|
B:HIS398
|
2.9
|
14.8
|
1.0
|
|
CD2
|
B:HIS398
|
2.9
|
12.7
|
1.0
|
|
CD2
|
B:HIS231
|
3.0
|
14.7
|
1.0
|
|
C1B
|
B:HEC1005
|
3.0
|
14.6
|
1.0
|
|
C1D
|
B:HEC1005
|
3.0
|
15.9
|
1.0
|
|
C4A
|
B:HEC1005
|
3.0
|
14.2
|
1.0
|
|
C4D
|
B:HEC1005
|
3.0
|
16.8
|
1.0
|
|
C4C
|
B:HEC1005
|
3.1
|
14.7
|
1.0
|
|
C1C
|
B:HEC1005
|
3.1
|
15.6
|
1.0
|
|
C1A
|
B:HEC1005
|
3.1
|
15.1
|
1.0
|
|
C4B
|
B:HEC1005
|
3.1
|
15.5
|
1.0
|
|
CHB
|
B:HEC1005
|
3.4
|
14.2
|
1.0
|
|
CHD
|
B:HEC1005
|
3.4
|
15.2
|
1.0
|
|
CHA
|
B:HEC1005
|
3.4
|
14.9
|
1.0
|
|
CHC
|
B:HEC1005
|
3.4
|
14.4
|
1.0
|
|
ND1
|
B:HIS231
|
4.0
|
16.1
|
1.0
|
|
ND1
|
B:HIS398
|
4.0
|
14.2
|
1.0
|
|
CG
|
B:HIS398
|
4.1
|
14.8
|
1.0
|
|
CG
|
B:HIS231
|
4.1
|
13.8
|
1.0
|
|
C2B
|
B:HEC1005
|
4.2
|
14.6
|
1.0
|
|
C3D
|
B:HEC1005
|
4.3
|
16.2
|
1.0
|
|
C2D
|
B:HEC1005
|
4.3
|
16.1
|
1.0
|
|
C3A
|
B:HEC1005
|
4.3
|
14.1
|
1.0
|
|
C3B
|
B:HEC1005
|
4.3
|
13.7
|
1.0
|
|
C2A
|
B:HEC1005
|
4.3
|
15.2
|
1.0
|
|
C2C
|
B:HEC1005
|
4.3
|
13.8
|
1.0
|
|
C3C
|
B:HEC1005
|
4.3
|
14.7
|
1.0
|
|
Reference:
A.A.Trofimov,
K.M.Polyakov,
T.V.Tikhonova,
V.O.Popov.
Binding of Sulfite By the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase To Be Published.
Page generated: Sun Dec 13 15:05:26 2020
|
