Iron in PDB 4q1o: Free Form of Tvnir, High Dose Data Set
Protein crystallography data
The structure of Free Form of Tvnir, High Dose Data Set, PDB code: 4q1o
was solved by
V.A.Lazarenko,
K.M.Polyakov,
A.A.Trofimov,
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)
|
53.86 /
1.75
|
|
Space group
|
P 21 3
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
193.970,
193.970,
193.970,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.5 /
16.6
|
Other elements in 4q1o:
The structure of Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set
(pdb code 4q1o). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the
Free Form of Tvnir, High Dose Data Set, PDB code: 4q1o:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 1 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:15.8
occ:1.00
|
FE
|
A:HEC601
|
0.0
|
15.8
|
1.0
|
|
NZ
|
A:LYS188
|
1.9
|
19.0
|
1.0
|
|
NC
|
A:HEC601
|
2.0
|
15.2
|
1.0
|
|
NA
|
A:HEC601
|
2.0
|
15.5
|
1.0
|
|
NB
|
A:HEC601
|
2.1
|
15.2
|
1.0
|
|
ND
|
A:HEC601
|
2.1
|
14.5
|
1.0
|
|
O
|
A:HOH701
|
2.2
|
17.2
|
0.6
|
|
C1A
|
A:HEC601
|
3.1
|
15.1
|
1.0
|
|
CE
|
A:LYS188
|
3.1
|
18.4
|
1.0
|
|
C1C
|
A:HEC601
|
3.1
|
15.0
|
1.0
|
|
C4D
|
A:HEC601
|
3.1
|
14.3
|
1.0
|
|
C4B
|
A:HEC601
|
3.1
|
15.8
|
1.0
|
|
C4A
|
A:HEC601
|
3.1
|
15.4
|
1.0
|
|
C4C
|
A:HEC601
|
3.1
|
15.2
|
1.0
|
|
C1D
|
A:HEC601
|
3.1
|
14.4
|
1.0
|
|
C1B
|
A:HEC601
|
3.1
|
15.3
|
1.0
|
|
CHA
|
A:HEC601
|
3.4
|
14.5
|
1.0
|
|
CHC
|
A:HEC601
|
3.4
|
15.3
|
1.0
|
|
CHD
|
A:HEC601
|
3.4
|
14.6
|
1.0
|
|
CHB
|
A:HEC601
|
3.4
|
14.9
|
1.0
|
|
C3A
|
A:HEC601
|
4.3
|
14.6
|
1.0
|
|
C2A
|
A:HEC601
|
4.3
|
14.8
|
1.0
|
|
C3D
|
A:HEC601
|
4.4
|
13.7
|
1.0
|
|
C3C
|
A:HEC601
|
4.4
|
15.0
|
1.0
|
|
C2C
|
A:HEC601
|
4.4
|
15.2
|
1.0
|
|
C3B
|
A:HEC601
|
4.4
|
15.3
|
1.0
|
|
C2D
|
A:HEC601
|
4.4
|
13.5
|
1.0
|
|
C2B
|
A:HEC601
|
4.4
|
15.4
|
1.0
|
|
NE2
|
A:HIS361
|
4.4
|
17.2
|
1.0
|
|
O
|
A:HOH1103
|
4.4
|
22.4
|
0.7
|
|
CD
|
A:LYS188
|
4.5
|
17.1
|
1.0
|
|
O
|
A:HOH923
|
4.6
|
20.2
|
1.0
|
|
CMD
|
A:HEC603
|
4.7
|
12.8
|
1.0
|
|
O
|
A:HOH929
|
4.8
|
24.7
|
1.0
|
|
OH
|
A:TYR303
|
4.9
|
22.6
|
1.0
|
|
NH2
|
A:ARG131
|
5.0
|
16.1
|
1.0
|
|
Iron binding site 2 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 2 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe602
b:13.7
occ:1.00
|
FE
|
A:HEC602
|
0.0
|
13.7
|
1.0
|
|
NE2
|
A:HIS398
|
2.0
|
13.3
|
1.0
|
|
NE2
|
A:HIS231
|
2.0
|
12.8
|
1.0
|
|
NA
|
A:HEC602
|
2.0
|
13.2
|
1.0
|
|
NB
|
A:HEC602
|
2.0
|
13.1
|
1.0
|
|
NC
|
A:HEC602
|
2.0
|
13.7
|
1.0
|
|
ND
|
A:HEC602
|
2.0
|
13.4
|
1.0
|
|
CE1
|
A:HIS231
|
2.9
|
13.8
|
1.0
|
|
CD2
|
A:HIS398
|
2.9
|
13.7
|
1.0
|
|
CE1
|
A:HIS398
|
3.0
|
13.8
|
1.0
|
|
CD2
|
A:HIS231
|
3.0
|
13.4
|
1.0
|
|
C4A
|
A:HEC602
|
3.0
|
12.9
|
1.0
|
|
C4B
|
A:HEC602
|
3.0
|
12.4
|
1.0
|
|
C4D
|
A:HEC602
|
3.0
|
13.2
|
1.0
|
|
C4C
|
A:HEC602
|
3.0
|
12.9
|
1.0
|
|
C1D
|
A:HEC602
|
3.0
|
13.7
|
1.0
|
|
C1A
|
A:HEC602
|
3.0
|
13.1
|
1.0
|
|
C1B
|
A:HEC602
|
3.1
|
12.8
|
1.0
|
|
C1C
|
A:HEC602
|
3.1
|
12.7
|
1.0
|
|
CHD
|
A:HEC602
|
3.4
|
12.7
|
1.0
|
|
CHA
|
A:HEC602
|
3.4
|
13.1
|
1.0
|
|
CHB
|
A:HEC602
|
3.4
|
12.2
|
1.0
|
|
CHC
|
A:HEC602
|
3.4
|
12.1
|
1.0
|
|
ND1
|
A:HIS231
|
4.1
|
14.1
|
1.0
|
|
ND1
|
A:HIS398
|
4.1
|
14.4
|
1.0
|
|
CG
|
A:HIS398
|
4.1
|
14.0
|
1.0
|
|
CG
|
A:HIS231
|
4.1
|
13.5
|
1.0
|
|
C3B
|
A:HEC602
|
4.3
|
12.7
|
1.0
|
|
C3D
|
A:HEC602
|
4.3
|
14.4
|
1.0
|
|
C3C
|
A:HEC602
|
4.3
|
13.1
|
1.0
|
|
C3A
|
A:HEC602
|
4.3
|
13.3
|
1.0
|
|
C2D
|
A:HEC602
|
4.3
|
14.3
|
1.0
|
|
C2B
|
A:HEC602
|
4.3
|
12.4
|
1.0
|
|
C2A
|
A:HEC602
|
4.3
|
13.9
|
1.0
|
|
C2C
|
A:HEC602
|
4.4
|
13.0
|
1.0
|
|
CE
|
A:MET384
|
4.8
|
17.9
|
1.0
|
|
Iron binding site 3 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 3 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:12.7
occ:1.00
|
FE
|
A:HEC603
|
0.0
|
12.7
|
1.0
|
|
NE2
|
A:HIS300
|
1.9
|
12.5
|
1.0
|
|
NE2
|
A:HIS119
|
1.9
|
12.6
|
1.0
|
|
ND
|
A:HEC603
|
2.0
|
12.5
|
1.0
|
|
NB
|
A:HEC603
|
2.0
|
12.9
|
1.0
|
|
NA
|
A:HEC603
|
2.0
|
12.0
|
1.0
|
|
NC
|
A:HEC603
|
2.0
|
12.2
|
1.0
|
|
CE1
|
A:HIS119
|
2.9
|
13.2
|
1.0
|
|
CE1
|
A:HIS300
|
2.9
|
12.8
|
1.0
|
|
CD2
|
A:HIS300
|
3.0
|
13.5
|
1.0
|
|
CD2
|
A:HIS119
|
3.0
|
13.8
|
1.0
|
|
C4C
|
A:HEC603
|
3.0
|
12.8
|
1.0
|
|
C4A
|
A:HEC603
|
3.0
|
12.7
|
1.0
|
|
C1A
|
A:HEC603
|
3.0
|
12.7
|
1.0
|
|
C1C
|
A:HEC603
|
3.0
|
12.7
|
1.0
|
|
C1D
|
A:HEC603
|
3.0
|
12.5
|
1.0
|
|
C1B
|
A:HEC603
|
3.1
|
13.1
|
1.0
|
|
C4D
|
A:HEC603
|
3.1
|
12.4
|
1.0
|
|
C4B
|
A:HEC603
|
3.1
|
13.1
|
1.0
|
|
CHD
|
A:HEC603
|
3.4
|
13.0
|
1.0
|
|
CHB
|
A:HEC603
|
3.4
|
12.4
|
1.0
|
|
CHA
|
A:HEC603
|
3.4
|
12.5
|
1.0
|
|
CHC
|
A:HEC603
|
3.4
|
12.2
|
1.0
|
|
ND1
|
A:HIS300
|
4.0
|
13.3
|
1.0
|
|
ND1
|
A:HIS119
|
4.0
|
13.2
|
1.0
|
|
CG
|
A:HIS300
|
4.1
|
13.0
|
1.0
|
|
CG
|
A:HIS119
|
4.1
|
13.4
|
1.0
|
|
C2A
|
A:HEC603
|
4.3
|
11.9
|
1.0
|
|
C3A
|
A:HEC603
|
4.3
|
11.8
|
1.0
|
|
C3C
|
A:HEC603
|
4.3
|
12.4
|
1.0
|
|
C3D
|
A:HEC603
|
4.3
|
12.2
|
1.0
|
|
C2D
|
A:HEC603
|
4.3
|
12.4
|
1.0
|
|
C2B
|
A:HEC603
|
4.4
|
13.2
|
1.0
|
|
C2C
|
A:HEC603
|
4.4
|
12.4
|
1.0
|
|
C3B
|
A:HEC603
|
4.4
|
13.0
|
1.0
|
|
CMD
|
A:HEC601
|
4.9
|
13.3
|
1.0
|
|
Iron binding site 4 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 4 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe604
b:13.8
occ:1.00
|
FE
|
A:HEC604
|
0.0
|
13.8
|
1.0
|
|
NE2
|
A:HIS491
|
1.9
|
13.2
|
1.0
|
|
NE2
|
A:HIS383
|
1.9
|
12.9
|
1.0
|
|
NB
|
A:HEC604
|
2.0
|
13.6
|
1.0
|
|
NA
|
A:HEC604
|
2.0
|
13.2
|
1.0
|
|
ND
|
A:HEC604
|
2.1
|
13.5
|
1.0
|
|
NC
|
A:HEC604
|
2.1
|
14.2
|
1.0
|
|
CE1
|
A:HIS491
|
2.8
|
13.8
|
1.0
|
|
CE1
|
A:HIS383
|
2.9
|
13.6
|
1.0
|
|
CD2
|
A:HIS383
|
3.0
|
12.6
|
1.0
|
|
C4B
|
A:HEC604
|
3.0
|
13.5
|
1.0
|
|
C1B
|
A:HEC604
|
3.0
|
13.5
|
1.0
|
|
CD2
|
A:HIS491
|
3.0
|
13.5
|
1.0
|
|
C4A
|
A:HEC604
|
3.0
|
13.4
|
1.0
|
|
C4D
|
A:HEC604
|
3.0
|
13.5
|
1.0
|
|
C1A
|
A:HEC604
|
3.1
|
13.1
|
1.0
|
|
C4C
|
A:HEC604
|
3.1
|
14.2
|
1.0
|
|
C1D
|
A:HEC604
|
3.1
|
13.8
|
1.0
|
|
C1C
|
A:HEC604
|
3.1
|
14.1
|
1.0
|
|
CHB
|
A:HEC604
|
3.4
|
13.5
|
1.0
|
|
CHA
|
A:HEC604
|
3.4
|
13.1
|
1.0
|
|
CHD
|
A:HEC604
|
3.4
|
14.0
|
1.0
|
|
CHC
|
A:HEC604
|
3.4
|
12.9
|
1.0
|
|
ND1
|
A:HIS491
|
4.0
|
13.5
|
1.0
|
|
ND1
|
A:HIS383
|
4.0
|
13.4
|
1.0
|
|
CG
|
A:HIS383
|
4.1
|
12.7
|
1.0
|
|
CG
|
A:HIS491
|
4.1
|
13.9
|
1.0
|
|
C3B
|
A:HEC604
|
4.3
|
13.5
|
1.0
|
|
C2B
|
A:HEC604
|
4.3
|
13.3
|
1.0
|
|
C2A
|
A:HEC604
|
4.3
|
13.3
|
1.0
|
|
C3C
|
A:HEC604
|
4.3
|
14.5
|
1.0
|
|
C3A
|
A:HEC604
|
4.3
|
13.4
|
1.0
|
|
C3D
|
A:HEC604
|
4.3
|
13.5
|
1.0
|
|
C2D
|
A:HEC604
|
4.4
|
13.9
|
1.0
|
|
C2C
|
A:HEC604
|
4.4
|
14.2
|
1.0
|
|
CB
|
A:SER487
|
5.0
|
13.9
|
1.0
|
|
Iron binding site 5 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 5 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe605
b:25.4
occ:1.00
|
FE
|
A:HEC605
|
0.0
|
25.4
|
1.0
|
|
NE2
|
A:HIS372
|
1.9
|
21.6
|
1.0
|
|
NE2
|
A:HIS415
|
1.9
|
27.9
|
1.0
|
|
NB
|
A:HEC605
|
2.1
|
23.6
|
1.0
|
|
NC
|
A:HEC605
|
2.1
|
27.0
|
1.0
|
|
ND
|
A:HEC605
|
2.1
|
34.3
|
1.0
|
|
NA
|
A:HEC605
|
2.1
|
31.3
|
1.0
|
|
CE1
|
A:HIS415
|
2.9
|
29.9
|
1.0
|
|
CE1
|
A:HIS372
|
2.9
|
24.1
|
1.0
|
|
CD2
|
A:HIS372
|
3.0
|
21.2
|
1.0
|
|
CD2
|
A:HIS415
|
3.0
|
27.8
|
1.0
|
|
C1C
|
A:HEC605
|
3.0
|
26.7
|
1.0
|
|
C1B
|
A:HEC605
|
3.1
|
24.5
|
1.0
|
|
C4B
|
A:HEC605
|
3.1
|
24.2
|
1.0
|
|
C4D
|
A:HEC605
|
3.1
|
39.5
|
1.0
|
|
C1D
|
A:HEC605
|
3.1
|
38.2
|
1.0
|
|
C1A
|
A:HEC605
|
3.1
|
37.4
|
1.0
|
|
C4C
|
A:HEC605
|
3.1
|
31.0
|
1.0
|
|
C4A
|
A:HEC605
|
3.2
|
31.9
|
1.0
|
|
CHC
|
A:HEC605
|
3.4
|
22.9
|
1.0
|
|
CHA
|
A:HEC605
|
3.4
|
38.1
|
1.0
|
|
CHD
|
A:HEC605
|
3.5
|
34.0
|
1.0
|
|
CHB
|
A:HEC605
|
3.5
|
25.9
|
1.0
|
|
ND1
|
A:HIS415
|
4.0
|
29.0
|
1.0
|
|
ND1
|
A:HIS372
|
4.0
|
23.0
|
1.0
|
|
CG
|
A:HIS372
|
4.1
|
21.5
|
1.0
|
|
CG
|
A:HIS415
|
4.1
|
27.7
|
1.0
|
|
C3B
|
A:HEC605
|
4.3
|
23.0
|
1.0
|
|
C2B
|
A:HEC605
|
4.4
|
24.2
|
1.0
|
|
C2C
|
A:HEC605
|
4.4
|
28.3
|
1.0
|
|
C3C
|
A:HEC605
|
4.4
|
30.1
|
1.0
|
|
C3D
|
A:HEC605
|
4.4
|
44.5
|
1.0
|
|
C2D
|
A:HEC605
|
4.4
|
44.0
|
1.0
|
|
C2A
|
A:HEC605
|
4.5
|
38.0
|
1.0
|
|
C3A
|
A:HEC605
|
4.5
|
36.9
|
1.0
|
|
CBC
|
A:HEC604
|
4.9
|
15.8
|
1.0
|
|
Iron binding site 6 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 6 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe606
b:15.7
occ:1.00
|
FE
|
A:HEC606
|
0.0
|
15.7
|
1.0
|
|
NE2
|
A:HIS39
|
1.9
|
13.8
|
1.0
|
|
NE2
|
A:HIS234
|
1.9
|
15.1
|
1.0
|
|
ND
|
A:HEC606
|
2.0
|
15.0
|
1.0
|
|
NA
|
A:HEC606
|
2.0
|
15.6
|
1.0
|
|
NC
|
A:HEC606
|
2.1
|
15.1
|
1.0
|
|
NB
|
A:HEC606
|
2.1
|
16.4
|
1.0
|
|
CE1
|
A:HIS39
|
2.9
|
13.4
|
1.0
|
|
CD2
|
A:HIS234
|
2.9
|
14.4
|
1.0
|
|
CE1
|
A:HIS234
|
2.9
|
15.3
|
1.0
|
|
CD2
|
A:HIS39
|
3.0
|
14.0
|
1.0
|
|
C1D
|
A:HEC606
|
3.0
|
15.5
|
1.0
|
|
C4C
|
A:HEC606
|
3.0
|
15.4
|
1.0
|
|
C4A
|
A:HEC606
|
3.0
|
15.9
|
1.0
|
|
C1B
|
A:HEC606
|
3.1
|
15.9
|
1.0
|
|
C1A
|
A:HEC606
|
3.1
|
15.2
|
1.0
|
|
C4D
|
A:HEC606
|
3.1
|
14.7
|
1.0
|
|
C4B
|
A:HEC606
|
3.1
|
15.8
|
1.0
|
|
C1C
|
A:HEC606
|
3.1
|
15.1
|
1.0
|
|
CHD
|
A:HEC606
|
3.4
|
14.4
|
1.0
|
|
CHB
|
A:HEC606
|
3.4
|
15.7
|
1.0
|
|
CHA
|
A:HEC606
|
3.5
|
14.4
|
1.0
|
|
CHC
|
A:HEC606
|
3.5
|
14.7
|
1.0
|
|
ND1
|
A:HIS39
|
4.0
|
14.5
|
1.0
|
|
ND1
|
A:HIS234
|
4.0
|
15.7
|
1.0
|
|
CG
|
A:HIS234
|
4.1
|
15.2
|
1.0
|
|
CG
|
A:HIS39
|
4.1
|
14.1
|
1.0
|
|
C2D
|
A:HEC606
|
4.3
|
14.9
|
1.0
|
|
C3A
|
A:HEC606
|
4.3
|
15.2
|
1.0
|
|
C3C
|
A:HEC606
|
4.3
|
15.2
|
1.0
|
|
C2A
|
A:HEC606
|
4.3
|
15.2
|
1.0
|
|
C3D
|
A:HEC606
|
4.4
|
14.5
|
1.0
|
|
C2B
|
A:HEC606
|
4.4
|
16.7
|
1.0
|
|
C3B
|
A:HEC606
|
4.4
|
15.8
|
1.0
|
|
C2C
|
A:HEC606
|
4.4
|
14.9
|
1.0
|
|
CMA
|
A:HEC608
|
5.0
|
15.3
|
1.0
|
|
Iron binding site 7 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 7 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe607
b:14.0
occ:1.00
|
FE
|
A:HEC607
|
0.0
|
14.0
|
1.0
|
|
NE2
|
A:HIS30
|
2.0
|
13.3
|
1.0
|
|
NE2
|
A:HIS70
|
2.0
|
13.5
|
1.0
|
|
NB
|
A:HEC607
|
2.0
|
14.1
|
1.0
|
|
ND
|
A:HEC607
|
2.0
|
14.8
|
1.0
|
|
NC
|
A:HEC607
|
2.0
|
14.4
|
1.0
|
|
NA
|
A:HEC607
|
2.1
|
14.7
|
1.0
|
|
CE1
|
A:HIS30
|
2.9
|
14.5
|
1.0
|
|
CD2
|
A:HIS70
|
3.0
|
13.5
|
1.0
|
|
CE1
|
A:HIS70
|
3.0
|
14.2
|
1.0
|
|
C1B
|
A:HEC607
|
3.0
|
14.4
|
1.0
|
|
CD2
|
A:HIS30
|
3.0
|
15.1
|
1.0
|
|
C1D
|
A:HEC607
|
3.0
|
14.9
|
1.0
|
|
C4C
|
A:HEC607
|
3.0
|
14.5
|
1.0
|
|
C4D
|
A:HEC607
|
3.0
|
15.1
|
1.0
|
|
C1C
|
A:HEC607
|
3.1
|
13.4
|
1.0
|
|
C4B
|
A:HEC607
|
3.1
|
14.2
|
1.0
|
|
C4A
|
A:HEC607
|
3.1
|
14.4
|
1.0
|
|
C1A
|
A:HEC607
|
3.1
|
14.3
|
1.0
|
|
CHD
|
A:HEC607
|
3.4
|
14.2
|
1.0
|
|
CHB
|
A:HEC607
|
3.4
|
13.4
|
1.0
|
|
CHC
|
A:HEC607
|
3.4
|
13.2
|
1.0
|
|
CHA
|
A:HEC607
|
3.4
|
14.3
|
1.0
|
|
ND1
|
A:HIS30
|
4.0
|
15.7
|
1.0
|
|
ND1
|
A:HIS70
|
4.1
|
13.3
|
1.0
|
|
CG
|
A:HIS70
|
4.1
|
12.8
|
1.0
|
|
CG
|
A:HIS30
|
4.1
|
14.5
|
1.0
|
|
C3B
|
A:HEC607
|
4.3
|
14.6
|
1.0
|
|
C2B
|
A:HEC607
|
4.3
|
14.6
|
1.0
|
|
C3D
|
A:HEC607
|
4.3
|
17.4
|
1.0
|
|
C2D
|
A:HEC607
|
4.3
|
15.8
|
1.0
|
|
C3C
|
A:HEC607
|
4.3
|
14.3
|
1.0
|
|
C2A
|
A:HEC607
|
4.4
|
15.1
|
1.0
|
|
C3A
|
A:HEC607
|
4.4
|
14.3
|
1.0
|
|
C2C
|
A:HEC607
|
4.4
|
13.8
|
1.0
|
|
Iron binding site 8 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 8 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe608
b:16.4
occ:1.00
|
FE
|
A:HEC608
|
0.0
|
16.4
|
1.0
|
|
NE2
|
A:HIS18
|
1.9
|
15.5
|
1.0
|
|
NE2
|
A:HIS44
|
1.9
|
15.9
|
1.0
|
|
NA
|
A:HEC608
|
2.1
|
16.5
|
1.0
|
|
ND
|
A:HEC608
|
2.1
|
18.2
|
1.0
|
|
NC
|
A:HEC608
|
2.1
|
16.8
|
1.0
|
|
NB
|
A:HEC608
|
2.1
|
16.4
|
1.0
|
|
CE1
|
A:HIS18
|
2.8
|
16.5
|
1.0
|
|
CE1
|
A:HIS44
|
2.9
|
15.7
|
1.0
|
|
CD2
|
A:HIS44
|
2.9
|
16.5
|
1.0
|
|
CD2
|
A:HIS18
|
3.0
|
15.9
|
1.0
|
|
C4A
|
A:HEC608
|
3.0
|
16.2
|
1.0
|
|
C1A
|
A:HEC608
|
3.1
|
17.2
|
1.0
|
|
C1D
|
A:HEC608
|
3.1
|
18.8
|
1.0
|
|
C4C
|
A:HEC608
|
3.1
|
17.6
|
1.0
|
|
C4D
|
A:HEC608
|
3.1
|
18.3
|
1.0
|
|
C1C
|
A:HEC608
|
3.1
|
17.4
|
1.0
|
|
C1B
|
A:HEC608
|
3.1
|
16.8
|
1.0
|
|
C4B
|
A:HEC608
|
3.1
|
16.5
|
1.0
|
|
CHD
|
A:HEC608
|
3.4
|
18.2
|
1.0
|
|
CHB
|
A:HEC608
|
3.4
|
15.9
|
1.0
|
|
CHA
|
A:HEC608
|
3.5
|
17.7
|
1.0
|
|
CHC
|
A:HEC608
|
3.5
|
17.2
|
1.0
|
|
ND1
|
A:HIS18
|
4.0
|
16.7
|
1.0
|
|
ND1
|
A:HIS44
|
4.0
|
16.7
|
1.0
|
|
CG
|
A:HIS18
|
4.1
|
16.8
|
1.0
|
|
CG
|
A:HIS44
|
4.1
|
16.2
|
1.0
|
|
C3A
|
A:HEC608
|
4.3
|
15.7
|
1.0
|
|
C2A
|
A:HEC608
|
4.3
|
16.1
|
1.0
|
|
C3D
|
A:HEC608
|
4.4
|
18.6
|
1.0
|
|
C2D
|
A:HEC608
|
4.4
|
19.3
|
1.0
|
|
C3C
|
A:HEC608
|
4.4
|
17.8
|
1.0
|
|
C2C
|
A:HEC608
|
4.4
|
18.0
|
1.0
|
|
C3B
|
A:HEC608
|
4.4
|
17.1
|
1.0
|
|
C2B
|
A:HEC608
|
4.4
|
16.8
|
1.0
|
|
CMA
|
A:HEC606
|
4.8
|
14.7
|
1.0
|
|
Iron binding site 9 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 9 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:14.2
occ:1.00
|
FE
|
B:HEC601
|
0.0
|
14.2
|
1.0
|
|
NZ
|
B:LYS188
|
1.9
|
17.4
|
1.0
|
|
NA
|
B:HEC601
|
2.0
|
12.9
|
1.0
|
|
ND
|
B:HEC601
|
2.0
|
12.4
|
1.0
|
|
NC
|
B:HEC601
|
2.1
|
13.7
|
1.0
|
|
NB
|
B:HEC601
|
2.1
|
13.4
|
1.0
|
|
O
|
B:HOH701
|
2.2
|
13.1
|
0.6
|
|
CE
|
B:LYS188
|
3.0
|
18.6
|
1.0
|
|
C4D
|
B:HEC601
|
3.0
|
12.0
|
1.0
|
|
C1A
|
B:HEC601
|
3.0
|
13.3
|
1.0
|
|
C1C
|
B:HEC601
|
3.0
|
13.7
|
1.0
|
|
C4B
|
B:HEC601
|
3.0
|
13.8
|
1.0
|
|
C4A
|
B:HEC601
|
3.1
|
13.1
|
1.0
|
|
C1D
|
B:HEC601
|
3.1
|
12.2
|
1.0
|
|
C4C
|
B:HEC601
|
3.1
|
12.8
|
1.0
|
|
C1B
|
B:HEC601
|
3.1
|
12.8
|
1.0
|
|
CHA
|
B:HEC601
|
3.4
|
12.1
|
1.0
|
|
CHC
|
B:HEC601
|
3.4
|
13.6
|
1.0
|
|
CHD
|
B:HEC601
|
3.5
|
12.1
|
1.0
|
|
CHB
|
B:HEC601
|
3.5
|
13.5
|
1.0
|
|
O
|
B:HOH1154
|
4.1
|
20.4
|
0.5
|
|
C3D
|
B:HEC601
|
4.3
|
11.8
|
1.0
|
|
C2A
|
B:HEC601
|
4.3
|
13.0
|
1.0
|
|
C3A
|
B:HEC601
|
4.3
|
13.3
|
1.0
|
|
C3C
|
B:HEC601
|
4.3
|
13.1
|
1.0
|
|
C2C
|
B:HEC601
|
4.4
|
13.0
|
1.0
|
|
C3B
|
B:HEC601
|
4.4
|
13.6
|
1.0
|
|
NE2
|
B:HIS361
|
4.4
|
13.3
|
1.0
|
|
C2D
|
B:HEC601
|
4.4
|
11.3
|
1.0
|
|
CD
|
B:LYS188
|
4.4
|
16.1
|
1.0
|
|
C2B
|
B:HEC601
|
4.4
|
13.3
|
1.0
|
|
O
|
B:HOH788
|
4.6
|
18.4
|
1.0
|
|
CMD
|
B:HEC603
|
4.7
|
9.8
|
1.0
|
|
O
|
B:HOH814
|
4.7
|
18.0
|
0.5
|
|
O
|
B:HOH974
|
4.9
|
23.7
|
1.0
|
|
OH
|
B:TYR303
|
5.0
|
21.5
|
1.0
|
|
Iron binding site 10 out
of 16 in 4q1o
Go back to
Iron Binding Sites List in 4q1o
Iron binding site 10 out
of 16 in the Free Form of Tvnir, High 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 Free Form of Tvnir, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:12.7
occ:1.00
|
FE
|
B:HEC602
|
0.0
|
12.7
|
1.0
|
|
NE2
|
B:HIS398
|
2.0
|
11.8
|
1.0
|
|
NE2
|
B:HIS231
|
2.0
|
11.8
|
1.0
|
|
NC
|
B:HEC602
|
2.0
|
12.0
|
1.0
|
|
ND
|
B:HEC602
|
2.0
|
12.8
|
1.0
|
|
NB
|
B:HEC602
|
2.0
|
12.1
|
1.0
|
|
NA
|
B:HEC602
|
2.0
|
12.1
|
1.0
|
|
CE1
|
B:HIS398
|
2.9
|
13.7
|
1.0
|
|
CE1
|
B:HIS231
|
3.0
|
13.0
|
1.0
|
|
CD2
|
B:HIS231
|
3.0
|
12.1
|
1.0
|
|
CD2
|
B:HIS398
|
3.0
|
13.2
|
1.0
|
|
C4B
|
B:HEC602
|
3.0
|
11.2
|
1.0
|
|
C4D
|
B:HEC602
|
3.0
|
12.6
|
1.0
|
|
C4C
|
B:HEC602
|
3.0
|
12.1
|
1.0
|
|
C1C
|
B:HEC602
|
3.0
|
11.5
|
1.0
|
|
C1D
|
B:HEC602
|
3.0
|
12.5
|
1.0
|
|
C4A
|
B:HEC602
|
3.0
|
12.1
|
1.0
|
|
C1B
|
B:HEC602
|
3.0
|
11.4
|
1.0
|
|
C1A
|
B:HEC602
|
3.1
|
12.4
|
1.0
|
|
CHC
|
B:HEC602
|
3.4
|
11.2
|
1.0
|
|
CHB
|
B:HEC602
|
3.4
|
11.4
|
1.0
|
|
CHD
|
B:HEC602
|
3.4
|
11.7
|
1.0
|
|
CHA
|
B:HEC602
|
3.4
|
11.7
|
1.0
|
|
ND1
|
B:HIS398
|
4.1
|
13.5
|
1.0
|
|
ND1
|
B:HIS231
|
4.1
|
12.0
|
1.0
|
|
CG
|
B:HIS231
|
4.1
|
12.3
|
1.0
|
|
CG
|
B:HIS398
|
4.1
|
13.4
|
1.0
|
|
C3B
|
B:HEC602
|
4.3
|
11.3
|
1.0
|
|
C3D
|
B:HEC602
|
4.3
|
13.4
|
1.0
|
|
C3C
|
B:HEC602
|
4.3
|
11.8
|
1.0
|
|
C2D
|
B:HEC602
|
4.3
|
13.8
|
1.0
|
|
C2B
|
B:HEC602
|
4.3
|
11.5
|
1.0
|
|
C2C
|
B:HEC602
|
4.3
|
11.9
|
1.0
|
|
C3A
|
B:HEC602
|
4.4
|
12.3
|
1.0
|
|
C2A
|
B:HEC602
|
4.4
|
12.8
|
1.0
|
|
CE
|
B:MET384
|
4.8
|
17.1
|
1.0
|
|
CMA
|
B:HEC607
|
5.0
|
12.7
|
1.0
|
|
Reference:
V.A.Lazarenko,
K.M.Polyakov,
A.A.Trofimov,
A.N.Popov,
T.V.Tikhonova,
A.V.Tikhonov,
V.O.Popov.
X-Ray-Induced Changes in the Active Site Structure of Octaheme Cytochrome C Nitrite Reductase and Its Substrate Complexes Acta Crystallogr., Sect.D.
ISSN: ESSN 1399-0047
Page generated: Tue Aug 5 13:43:55 2025
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