Iron in PDB 4q5b: Tvnir in Complex with Sulfite, High Dose Data Set
Protein crystallography data
The structure of Tvnir in Complex with Sulfite, High Dose Data Set, PDB code: 4q5b
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)
|
47.36 /
1.80
|
|
Space group
|
P 21 3
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
195.270,
195.270,
195.270,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.2 /
16.5
|
Other elements in 4q5b:
The structure of Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set
(pdb code 4q5b). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the
Tvnir in Complex with Sulfite, High Dose Data Set, PDB code: 4q5b:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 1 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:17.0
occ:1.00
|
FE
|
A:HEC601
|
0.0
|
17.0
|
1.0
|
|
NZ
|
A:LYS188
|
1.9
|
16.9
|
1.0
|
|
NA
|
A:HEC601
|
2.0
|
17.2
|
1.0
|
|
ND
|
A:HEC601
|
2.1
|
15.7
|
1.0
|
|
NC
|
A:HEC601
|
2.1
|
15.4
|
1.0
|
|
NB
|
A:HEC601
|
2.1
|
17.2
|
1.0
|
|
S
|
A:SO3609
|
2.2
|
20.1
|
1.0
|
|
CE
|
A:LYS188
|
3.0
|
18.4
|
1.0
|
|
C1A
|
A:HEC601
|
3.0
|
17.5
|
1.0
|
|
C4A
|
A:HEC601
|
3.0
|
17.2
|
1.0
|
|
C4B
|
A:HEC601
|
3.1
|
17.3
|
1.0
|
|
C1C
|
A:HEC601
|
3.1
|
16.0
|
1.0
|
|
C4C
|
A:HEC601
|
3.1
|
16.6
|
1.0
|
|
C4D
|
A:HEC601
|
3.1
|
16.7
|
1.0
|
|
C1D
|
A:HEC601
|
3.1
|
15.5
|
1.0
|
|
C1B
|
A:HEC601
|
3.1
|
17.1
|
1.0
|
|
O2
|
A:SO3609
|
3.1
|
20.5
|
1.0
|
|
O1
|
A:SO3609
|
3.1
|
25.0
|
1.0
|
|
O3
|
A:SO3609
|
3.1
|
20.7
|
1.0
|
|
CHC
|
A:HEC601
|
3.4
|
16.2
|
1.0
|
|
CHA
|
A:HEC601
|
3.4
|
17.3
|
1.0
|
|
CHD
|
A:HEC601
|
3.4
|
15.0
|
1.0
|
|
CHB
|
A:HEC601
|
3.5
|
16.8
|
1.0
|
|
C3A
|
A:HEC601
|
4.3
|
17.1
|
1.0
|
|
C2A
|
A:HEC601
|
4.3
|
17.3
|
1.0
|
|
C3B
|
A:HEC601
|
4.4
|
17.1
|
1.0
|
|
C2C
|
A:HEC601
|
4.4
|
16.4
|
1.0
|
|
C3D
|
A:HEC601
|
4.4
|
15.7
|
1.0
|
|
C2D
|
A:HEC601
|
4.4
|
14.7
|
1.0
|
|
C3C
|
A:HEC601
|
4.4
|
15.6
|
1.0
|
|
C2B
|
A:HEC601
|
4.4
|
17.9
|
1.0
|
|
CD
|
A:LYS188
|
4.4
|
17.2
|
1.0
|
|
NE2
|
A:HIS361
|
4.5
|
15.6
|
1.0
|
|
O
|
A:HOH783
|
4.6
|
20.7
|
1.0
|
|
OH
|
A:TYR303
|
4.8
|
19.4
|
1.0
|
|
CMD
|
A:HEC603
|
4.9
|
14.8
|
1.0
|
|
NH2
|
A:ARG131
|
4.9
|
20.2
|
1.0
|
|
Iron binding site 2 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 2 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe602
b:15.8
occ:1.00
|
FE
|
A:HEC602
|
0.0
|
15.8
|
1.0
|
|
NE2
|
A:HIS231
|
2.0
|
15.5
|
1.0
|
|
NE2
|
A:HIS398
|
2.0
|
14.3
|
1.0
|
|
NA
|
A:HEC602
|
2.0
|
14.9
|
1.0
|
|
ND
|
A:HEC602
|
2.0
|
16.1
|
1.0
|
|
NC
|
A:HEC602
|
2.0
|
16.4
|
1.0
|
|
NB
|
A:HEC602
|
2.0
|
15.3
|
1.0
|
|
CE1
|
A:HIS231
|
2.9
|
16.5
|
1.0
|
|
CD2
|
A:HIS398
|
3.0
|
15.0
|
1.0
|
|
CE1
|
A:HIS398
|
3.0
|
16.3
|
1.0
|
|
CD2
|
A:HIS231
|
3.0
|
16.1
|
1.0
|
|
C4D
|
A:HEC602
|
3.0
|
16.4
|
1.0
|
|
C4C
|
A:HEC602
|
3.0
|
15.6
|
1.0
|
|
C1D
|
A:HEC602
|
3.0
|
16.6
|
1.0
|
|
C1C
|
A:HEC602
|
3.0
|
14.6
|
1.0
|
|
C4B
|
A:HEC602
|
3.1
|
14.8
|
1.0
|
|
C1B
|
A:HEC602
|
3.1
|
15.1
|
1.0
|
|
C4A
|
A:HEC602
|
3.1
|
14.3
|
1.0
|
|
C1A
|
A:HEC602
|
3.1
|
14.5
|
1.0
|
|
CHD
|
A:HEC602
|
3.4
|
15.7
|
1.0
|
|
CHC
|
A:HEC602
|
3.4
|
13.8
|
1.0
|
|
CHB
|
A:HEC602
|
3.4
|
14.2
|
1.0
|
|
CHA
|
A:HEC602
|
3.4
|
15.0
|
1.0
|
|
ND1
|
A:HIS231
|
4.1
|
16.2
|
1.0
|
|
ND1
|
A:HIS398
|
4.1
|
16.0
|
1.0
|
|
CG
|
A:HIS398
|
4.1
|
15.6
|
1.0
|
|
CG
|
A:HIS231
|
4.1
|
15.6
|
1.0
|
|
C3D
|
A:HEC602
|
4.3
|
16.9
|
1.0
|
|
C3B
|
A:HEC602
|
4.3
|
15.8
|
1.0
|
|
C3C
|
A:HEC602
|
4.3
|
16.2
|
1.0
|
|
C3A
|
A:HEC602
|
4.3
|
14.5
|
1.0
|
|
C2C
|
A:HEC602
|
4.3
|
15.7
|
1.0
|
|
C2D
|
A:HEC602
|
4.3
|
17.1
|
1.0
|
|
C2A
|
A:HEC602
|
4.4
|
14.7
|
1.0
|
|
C2B
|
A:HEC602
|
4.4
|
15.3
|
1.0
|
|
CE
|
A:MET384
|
4.8
|
19.5
|
1.0
|
|
Iron binding site 3 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 3 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:14.8
occ:1.00
|
FE
|
A:HEC603
|
0.0
|
14.8
|
1.0
|
|
NE2
|
A:HIS300
|
2.0
|
15.2
|
1.0
|
|
NE2
|
A:HIS119
|
2.0
|
15.6
|
1.0
|
|
NB
|
A:HEC603
|
2.0
|
14.7
|
1.0
|
|
ND
|
A:HEC603
|
2.0
|
14.3
|
1.0
|
|
NC
|
A:HEC603
|
2.0
|
14.2
|
1.0
|
|
NA
|
A:HEC603
|
2.1
|
14.4
|
1.0
|
|
CE1
|
A:HIS119
|
2.9
|
16.4
|
1.0
|
|
CE1
|
A:HIS300
|
2.9
|
15.6
|
1.0
|
|
CD2
|
A:HIS300
|
3.0
|
16.2
|
1.0
|
|
CD2
|
A:HIS119
|
3.0
|
16.4
|
1.0
|
|
C4C
|
A:HEC603
|
3.0
|
14.2
|
1.0
|
|
C1C
|
A:HEC603
|
3.0
|
14.3
|
1.0
|
|
C4A
|
A:HEC603
|
3.0
|
14.8
|
1.0
|
|
C1D
|
A:HEC603
|
3.1
|
14.3
|
1.0
|
|
C1B
|
A:HEC603
|
3.1
|
15.3
|
1.0
|
|
C1A
|
A:HEC603
|
3.1
|
14.8
|
1.0
|
|
C4D
|
A:HEC603
|
3.1
|
14.2
|
1.0
|
|
C4B
|
A:HEC603
|
3.1
|
14.5
|
1.0
|
|
CHB
|
A:HEC603
|
3.4
|
14.3
|
1.0
|
|
CHD
|
A:HEC603
|
3.4
|
14.1
|
1.0
|
|
CHA
|
A:HEC603
|
3.5
|
14.1
|
1.0
|
|
CHC
|
A:HEC603
|
3.5
|
14.1
|
1.0
|
|
ND1
|
A:HIS119
|
4.1
|
16.6
|
1.0
|
|
ND1
|
A:HIS300
|
4.1
|
16.2
|
1.0
|
|
CG
|
A:HIS300
|
4.1
|
16.4
|
1.0
|
|
CG
|
A:HIS119
|
4.1
|
16.2
|
1.0
|
|
C3C
|
A:HEC603
|
4.3
|
14.1
|
1.0
|
|
C2C
|
A:HEC603
|
4.3
|
14.0
|
1.0
|
|
C2D
|
A:HEC603
|
4.3
|
14.2
|
1.0
|
|
C3A
|
A:HEC603
|
4.4
|
14.1
|
1.0
|
|
C3D
|
A:HEC603
|
4.4
|
13.9
|
1.0
|
|
C2B
|
A:HEC603
|
4.4
|
15.3
|
1.0
|
|
C2A
|
A:HEC603
|
4.4
|
14.6
|
1.0
|
|
C3B
|
A:HEC603
|
4.4
|
15.3
|
1.0
|
|
CMD
|
A:HEC601
|
4.9
|
14.7
|
1.0
|
|
Iron binding site 4 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 4 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe604
b:15.7
occ:1.00
|
FE
|
A:HEC604
|
0.0
|
15.7
|
1.0
|
|
NE2
|
A:HIS383
|
1.9
|
15.3
|
1.0
|
|
NE2
|
A:HIS491
|
2.0
|
15.2
|
1.0
|
|
NA
|
A:HEC604
|
2.0
|
14.9
|
1.0
|
|
NB
|
A:HEC604
|
2.0
|
15.9
|
1.0
|
|
NC
|
A:HEC604
|
2.1
|
16.3
|
1.0
|
|
ND
|
A:HEC604
|
2.1
|
16.2
|
1.0
|
|
CE1
|
A:HIS491
|
2.8
|
16.3
|
1.0
|
|
CE1
|
A:HIS383
|
2.9
|
15.6
|
1.0
|
|
CD2
|
A:HIS383
|
3.0
|
14.4
|
1.0
|
|
C1A
|
A:HEC604
|
3.0
|
15.2
|
1.0
|
|
C4A
|
A:HEC604
|
3.0
|
14.9
|
1.0
|
|
C4B
|
A:HEC604
|
3.0
|
15.8
|
1.0
|
|
C4D
|
A:HEC604
|
3.1
|
16.3
|
1.0
|
|
C1B
|
A:HEC604
|
3.1
|
15.6
|
1.0
|
|
C1D
|
A:HEC604
|
3.1
|
16.0
|
1.0
|
|
CD2
|
A:HIS491
|
3.1
|
15.1
|
1.0
|
|
C4C
|
A:HEC604
|
3.1
|
16.1
|
1.0
|
|
C1C
|
A:HEC604
|
3.1
|
15.8
|
1.0
|
|
CHB
|
A:HEC604
|
3.4
|
14.9
|
1.0
|
|
CHA
|
A:HEC604
|
3.4
|
15.5
|
1.0
|
|
CHD
|
A:HEC604
|
3.4
|
15.8
|
1.0
|
|
CHC
|
A:HEC604
|
3.4
|
15.6
|
1.0
|
|
ND1
|
A:HIS491
|
4.0
|
16.6
|
1.0
|
|
ND1
|
A:HIS383
|
4.0
|
16.6
|
1.0
|
|
CG
|
A:HIS383
|
4.1
|
15.7
|
1.0
|
|
CG
|
A:HIS491
|
4.1
|
16.2
|
1.0
|
|
C3B
|
A:HEC604
|
4.3
|
15.7
|
1.0
|
|
C2A
|
A:HEC604
|
4.3
|
15.8
|
1.0
|
|
C3A
|
A:HEC604
|
4.3
|
15.6
|
1.0
|
|
C3C
|
A:HEC604
|
4.4
|
15.8
|
1.0
|
|
C3D
|
A:HEC604
|
4.4
|
15.7
|
1.0
|
|
C2B
|
A:HEC604
|
4.4
|
15.8
|
1.0
|
|
C2D
|
A:HEC604
|
4.4
|
15.4
|
1.0
|
|
C2C
|
A:HEC604
|
4.4
|
16.9
|
1.0
|
|
CB
|
A:SER487
|
5.0
|
16.9
|
1.0
|
|
Iron binding site 5 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 5 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe605
b:20.0
occ:1.00
|
FE
|
A:HEC605
|
0.0
|
20.0
|
1.0
|
|
NE2
|
A:HIS372
|
1.9
|
18.1
|
1.0
|
|
NE2
|
A:HIS415
|
1.9
|
21.8
|
1.0
|
|
NB
|
A:HEC605
|
2.1
|
19.8
|
1.0
|
|
NC
|
A:HEC605
|
2.1
|
20.7
|
1.0
|
|
NA
|
A:HEC605
|
2.1
|
20.4
|
1.0
|
|
ND
|
A:HEC605
|
2.1
|
21.0
|
1.0
|
|
CE1
|
A:HIS415
|
2.9
|
24.6
|
1.0
|
|
CE1
|
A:HIS372
|
2.9
|
18.7
|
1.0
|
|
CD2
|
A:HIS372
|
3.0
|
17.3
|
1.0
|
|
CD2
|
A:HIS415
|
3.0
|
21.7
|
1.0
|
|
C4B
|
A:HEC605
|
3.1
|
19.5
|
1.0
|
|
C1C
|
A:HEC605
|
3.1
|
21.3
|
1.0
|
|
C1A
|
A:HEC605
|
3.1
|
21.2
|
1.0
|
|
C4D
|
A:HEC605
|
3.1
|
22.8
|
1.0
|
|
C4A
|
A:HEC605
|
3.1
|
19.5
|
1.0
|
|
C1D
|
A:HEC605
|
3.1
|
22.6
|
1.0
|
|
C1B
|
A:HEC605
|
3.1
|
19.8
|
1.0
|
|
C4C
|
A:HEC605
|
3.1
|
23.8
|
1.0
|
|
CHC
|
A:HEC605
|
3.4
|
20.3
|
1.0
|
|
CHA
|
A:HEC605
|
3.4
|
21.1
|
1.0
|
|
CHD
|
A:HEC605
|
3.4
|
22.8
|
1.0
|
|
CHB
|
A:HEC605
|
3.4
|
18.8
|
1.0
|
|
ND1
|
A:HIS415
|
4.0
|
25.2
|
1.0
|
|
ND1
|
A:HIS372
|
4.0
|
18.7
|
1.0
|
|
CG
|
A:HIS372
|
4.1
|
17.9
|
1.0
|
|
CG
|
A:HIS415
|
4.1
|
23.1
|
1.0
|
|
C3B
|
A:HEC605
|
4.3
|
20.2
|
1.0
|
|
C2A
|
A:HEC605
|
4.4
|
21.6
|
1.0
|
|
C3A
|
A:HEC605
|
4.4
|
20.9
|
1.0
|
|
C3D
|
A:HEC605
|
4.4
|
25.0
|
1.0
|
|
C2C
|
A:HEC605
|
4.4
|
22.6
|
1.0
|
|
C3C
|
A:HEC605
|
4.4
|
23.8
|
1.0
|
|
C2B
|
A:HEC605
|
4.4
|
20.9
|
1.0
|
|
C2D
|
A:HEC605
|
4.4
|
24.3
|
1.0
|
|
CBC
|
A:HEC604
|
5.0
|
16.8
|
1.0
|
|
Iron binding site 6 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 6 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe606
b:17.2
occ:1.00
|
FE
|
A:HEC606
|
0.0
|
17.2
|
1.0
|
|
NE2
|
A:HIS39
|
1.9
|
14.7
|
1.0
|
|
NE2
|
A:HIS234
|
1.9
|
16.0
|
1.0
|
|
NA
|
A:HEC606
|
2.0
|
17.6
|
1.0
|
|
NB
|
A:HEC606
|
2.1
|
17.4
|
1.0
|
|
NC
|
A:HEC606
|
2.1
|
16.3
|
1.0
|
|
ND
|
A:HEC606
|
2.1
|
17.1
|
1.0
|
|
CD2
|
A:HIS39
|
2.9
|
14.5
|
1.0
|
|
CE1
|
A:HIS39
|
2.9
|
14.3
|
1.0
|
|
CE1
|
A:HIS234
|
3.0
|
16.0
|
1.0
|
|
CD2
|
A:HIS234
|
3.0
|
15.3
|
1.0
|
|
C1D
|
A:HEC606
|
3.0
|
17.2
|
1.0
|
|
C4A
|
A:HEC606
|
3.0
|
17.9
|
1.0
|
|
C4C
|
A:HEC606
|
3.1
|
17.3
|
1.0
|
|
C1B
|
A:HEC606
|
3.1
|
17.7
|
1.0
|
|
C1A
|
A:HEC606
|
3.1
|
17.1
|
1.0
|
|
C1C
|
A:HEC606
|
3.1
|
16.7
|
1.0
|
|
C4D
|
A:HEC606
|
3.1
|
17.0
|
1.0
|
|
C4B
|
A:HEC606
|
3.1
|
17.7
|
1.0
|
|
CHD
|
A:HEC606
|
3.4
|
16.1
|
1.0
|
|
CHB
|
A:HEC606
|
3.4
|
18.1
|
1.0
|
|
CHA
|
A:HEC606
|
3.5
|
16.2
|
1.0
|
|
CHC
|
A:HEC606
|
3.5
|
16.6
|
1.0
|
|
ND1
|
A:HIS39
|
4.1
|
15.7
|
1.0
|
|
ND1
|
A:HIS234
|
4.1
|
16.3
|
1.0
|
|
CG
|
A:HIS39
|
4.1
|
15.6
|
1.0
|
|
CG
|
A:HIS234
|
4.1
|
15.7
|
1.0
|
|
C3C
|
A:HEC606
|
4.3
|
16.9
|
1.0
|
|
C3A
|
A:HEC606
|
4.4
|
16.6
|
1.0
|
|
C2D
|
A:HEC606
|
4.4
|
16.4
|
1.0
|
|
C2B
|
A:HEC606
|
4.4
|
18.4
|
1.0
|
|
C2A
|
A:HEC606
|
4.4
|
16.7
|
1.0
|
|
C3B
|
A:HEC606
|
4.4
|
18.4
|
1.0
|
|
C3D
|
A:HEC606
|
4.4
|
16.5
|
1.0
|
|
C2C
|
A:HEC606
|
4.4
|
17.8
|
1.0
|
|
Iron binding site 7 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 7 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe607
b:16.3
occ:1.00
|
FE
|
A:HEC607
|
0.0
|
16.3
|
1.0
|
|
NE2
|
A:HIS70
|
2.0
|
15.3
|
1.0
|
|
NE2
|
A:HIS30
|
2.0
|
15.2
|
1.0
|
|
ND
|
A:HEC607
|
2.0
|
17.3
|
1.0
|
|
NB
|
A:HEC607
|
2.0
|
15.8
|
1.0
|
|
NC
|
A:HEC607
|
2.0
|
16.9
|
1.0
|
|
NA
|
A:HEC607
|
2.1
|
16.4
|
1.0
|
|
CE1
|
A:HIS30
|
2.9
|
16.2
|
1.0
|
|
CD2
|
A:HIS70
|
3.0
|
16.0
|
1.0
|
|
CE1
|
A:HIS70
|
3.0
|
17.3
|
1.0
|
|
C4C
|
A:HEC607
|
3.0
|
15.9
|
1.0
|
|
CD2
|
A:HIS30
|
3.0
|
16.5
|
1.0
|
|
C1D
|
A:HEC607
|
3.1
|
17.0
|
1.0
|
|
C4A
|
A:HEC607
|
3.1
|
15.1
|
1.0
|
|
C1B
|
A:HEC607
|
3.1
|
16.4
|
1.0
|
|
C1C
|
A:HEC607
|
3.1
|
15.6
|
1.0
|
|
C4D
|
A:HEC607
|
3.1
|
17.0
|
1.0
|
|
C4B
|
A:HEC607
|
3.1
|
15.7
|
1.0
|
|
C1A
|
A:HEC607
|
3.1
|
15.5
|
1.0
|
|
CHD
|
A:HEC607
|
3.4
|
16.0
|
1.0
|
|
CHB
|
A:HEC607
|
3.4
|
15.6
|
1.0
|
|
CHC
|
A:HEC607
|
3.4
|
14.4
|
1.0
|
|
CHA
|
A:HEC607
|
3.5
|
16.0
|
1.0
|
|
ND1
|
A:HIS30
|
4.1
|
17.2
|
1.0
|
|
ND1
|
A:HIS70
|
4.1
|
15.4
|
1.0
|
|
CG
|
A:HIS70
|
4.1
|
14.9
|
1.0
|
|
CG
|
A:HIS30
|
4.2
|
16.2
|
1.0
|
|
C3C
|
A:HEC607
|
4.3
|
15.6
|
1.0
|
|
C2D
|
A:HEC607
|
4.4
|
18.7
|
1.0
|
|
C3B
|
A:HEC607
|
4.4
|
16.3
|
1.0
|
|
C2C
|
A:HEC607
|
4.4
|
15.6
|
1.0
|
|
C2B
|
A:HEC607
|
4.4
|
17.3
|
1.0
|
|
C3D
|
A:HEC607
|
4.4
|
19.0
|
1.0
|
|
C3A
|
A:HEC607
|
4.4
|
16.3
|
1.0
|
|
C2A
|
A:HEC607
|
4.4
|
16.8
|
1.0
|
|
Iron binding site 8 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 8 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe608
b:18.3
occ:1.00
|
FE
|
A:HEC608
|
0.0
|
18.3
|
1.0
|
|
NE2
|
A:HIS18
|
1.9
|
17.1
|
1.0
|
|
NE2
|
A:HIS44
|
1.9
|
18.2
|
1.0
|
|
ND
|
A:HEC608
|
2.1
|
19.1
|
1.0
|
|
NA
|
A:HEC608
|
2.1
|
17.5
|
1.0
|
|
NC
|
A:HEC608
|
2.1
|
19.1
|
1.0
|
|
NB
|
A:HEC608
|
2.1
|
19.0
|
1.0
|
|
CE1
|
A:HIS18
|
2.8
|
18.6
|
1.0
|
|
CE1
|
A:HIS44
|
2.9
|
18.5
|
1.0
|
|
CD2
|
A:HIS44
|
3.0
|
17.7
|
1.0
|
|
CD2
|
A:HIS18
|
3.0
|
16.6
|
1.0
|
|
C4A
|
A:HEC608
|
3.0
|
17.2
|
1.0
|
|
C1D
|
A:HEC608
|
3.1
|
20.1
|
1.0
|
|
C4C
|
A:HEC608
|
3.1
|
20.9
|
1.0
|
|
C1A
|
A:HEC608
|
3.1
|
17.4
|
1.0
|
|
C1C
|
A:HEC608
|
3.1
|
19.8
|
1.0
|
|
C4D
|
A:HEC608
|
3.1
|
18.8
|
1.0
|
|
C1B
|
A:HEC608
|
3.1
|
19.4
|
1.0
|
|
C4B
|
A:HEC608
|
3.1
|
19.1
|
1.0
|
|
CHD
|
A:HEC608
|
3.4
|
19.9
|
1.0
|
|
CHB
|
A:HEC608
|
3.4
|
17.9
|
1.0
|
|
CHC
|
A:HEC608
|
3.5
|
19.1
|
1.0
|
|
CHA
|
A:HEC608
|
3.5
|
17.8
|
1.0
|
|
ND1
|
A:HIS18
|
4.0
|
17.7
|
1.0
|
|
ND1
|
A:HIS44
|
4.0
|
18.5
|
1.0
|
|
CG
|
A:HIS18
|
4.1
|
17.4
|
1.0
|
|
CG
|
A:HIS44
|
4.1
|
19.0
|
1.0
|
|
C3A
|
A:HEC608
|
4.4
|
16.5
|
1.0
|
|
C2D
|
A:HEC608
|
4.4
|
19.6
|
1.0
|
|
C2A
|
A:HEC608
|
4.4
|
16.4
|
1.0
|
|
C3D
|
A:HEC608
|
4.4
|
19.6
|
1.0
|
|
C3C
|
A:HEC608
|
4.4
|
20.7
|
1.0
|
|
C3B
|
A:HEC608
|
4.4
|
18.9
|
1.0
|
|
C2C
|
A:HEC608
|
4.4
|
21.1
|
1.0
|
|
C2B
|
A:HEC608
|
4.4
|
19.2
|
1.0
|
|
CMA
|
A:HEC606
|
4.8
|
17.1
|
1.0
|
|
Iron binding site 9 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 9 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:15.4
occ:1.00
|
FE
|
B:HEC601
|
0.0
|
15.4
|
1.0
|
|
NZ
|
B:LYS188
|
1.9
|
17.0
|
1.0
|
|
NA
|
B:HEC601
|
2.0
|
15.2
|
1.0
|
|
ND
|
B:HEC601
|
2.0
|
14.4
|
1.0
|
|
NC
|
B:HEC601
|
2.1
|
15.6
|
1.0
|
|
NB
|
B:HEC601
|
2.1
|
15.8
|
1.0
|
|
S
|
B:SO3609
|
2.3
|
18.7
|
1.0
|
|
C4B
|
B:HEC601
|
3.0
|
15.7
|
1.0
|
|
C1C
|
B:HEC601
|
3.0
|
15.0
|
1.0
|
|
C1A
|
B:HEC601
|
3.0
|
16.1
|
1.0
|
|
CE
|
B:LYS188
|
3.0
|
17.6
|
1.0
|
|
C4A
|
B:HEC601
|
3.1
|
15.1
|
1.0
|
|
C4C
|
B:HEC601
|
3.1
|
14.4
|
1.0
|
|
C4D
|
B:HEC601
|
3.1
|
14.7
|
1.0
|
|
C1D
|
B:HEC601
|
3.1
|
14.1
|
1.0
|
|
C1B
|
B:HEC601
|
3.1
|
15.4
|
1.0
|
|
O2
|
B:SO3609
|
3.1
|
20.4
|
1.0
|
|
O1
|
B:SO3609
|
3.2
|
22.3
|
1.0
|
|
O3
|
B:SO3609
|
3.2
|
18.7
|
1.0
|
|
CHC
|
B:HEC601
|
3.4
|
15.3
|
1.0
|
|
CHA
|
B:HEC601
|
3.4
|
15.0
|
1.0
|
|
CHD
|
B:HEC601
|
3.5
|
13.8
|
1.0
|
|
CHB
|
B:HEC601
|
3.5
|
15.5
|
1.0
|
|
C3A
|
B:HEC601
|
4.3
|
15.6
|
1.0
|
|
C2A
|
B:HEC601
|
4.3
|
16.3
|
1.0
|
|
C3B
|
B:HEC601
|
4.3
|
15.4
|
1.0
|
|
C2C
|
B:HEC601
|
4.4
|
14.4
|
1.0
|
|
C3C
|
B:HEC601
|
4.4
|
15.1
|
1.0
|
|
C2D
|
B:HEC601
|
4.4
|
13.4
|
1.0
|
|
C3D
|
B:HEC601
|
4.4
|
14.5
|
1.0
|
|
C2B
|
B:HEC601
|
4.4
|
16.0
|
1.0
|
|
CD
|
B:LYS188
|
4.4
|
15.8
|
1.0
|
|
NE2
|
B:HIS361
|
4.5
|
14.9
|
1.0
|
|
O
|
B:HOH807
|
4.6
|
20.6
|
1.0
|
|
OH
|
B:TYR303
|
4.8
|
19.3
|
1.0
|
|
CMD
|
B:HEC603
|
4.9
|
12.2
|
1.0
|
|
NH2
|
B:ARG131
|
4.9
|
19.3
|
1.0
|
|
Iron binding site 10 out
of 16 in 4q5b
Go back to
Iron Binding Sites List in 4q5b
Iron binding site 10 out
of 16 in the Tvnir in Complex with Sulfite, 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 Tvnir in Complex with Sulfite, High Dose Data Set within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:15.2
occ:1.00
|
FE
|
B:HEC602
|
0.0
|
15.2
|
1.0
|
|
NE2
|
B:HIS398
|
2.0
|
13.6
|
1.0
|
|
NE2
|
B:HIS231
|
2.0
|
14.3
|
1.0
|
|
NB
|
B:HEC602
|
2.0
|
15.3
|
1.0
|
|
NC
|
B:HEC602
|
2.0
|
15.0
|
1.0
|
|
ND
|
B:HEC602
|
2.0
|
15.6
|
1.0
|
|
NA
|
B:HEC602
|
2.0
|
15.2
|
1.0
|
|
CE1
|
B:HIS231
|
3.0
|
15.4
|
1.0
|
|
CD2
|
B:HIS398
|
3.0
|
14.2
|
1.0
|
|
CE1
|
B:HIS398
|
3.0
|
15.5
|
1.0
|
|
CD2
|
B:HIS231
|
3.0
|
15.8
|
1.0
|
|
C4B
|
B:HEC602
|
3.0
|
13.9
|
1.0
|
|
C1D
|
B:HEC602
|
3.0
|
15.1
|
1.0
|
|
C1B
|
B:HEC602
|
3.0
|
14.8
|
1.0
|
|
C4C
|
B:HEC602
|
3.0
|
14.9
|
1.0
|
|
C4A
|
B:HEC602
|
3.0
|
14.9
|
1.0
|
|
C1C
|
B:HEC602
|
3.1
|
14.5
|
1.0
|
|
C1A
|
B:HEC602
|
3.1
|
14.6
|
1.0
|
|
C4D
|
B:HEC602
|
3.1
|
15.8
|
1.0
|
|
CHB
|
B:HEC602
|
3.4
|
13.9
|
1.0
|
|
CHC
|
B:HEC602
|
3.4
|
12.9
|
1.0
|
|
CHD
|
B:HEC602
|
3.4
|
14.1
|
1.0
|
|
CHA
|
B:HEC602
|
3.4
|
14.8
|
1.0
|
|
ND1
|
B:HIS231
|
4.1
|
15.2
|
1.0
|
|
ND1
|
B:HIS398
|
4.1
|
14.7
|
1.0
|
|
CG
|
B:HIS398
|
4.1
|
15.0
|
1.0
|
|
CG
|
B:HIS231
|
4.2
|
15.3
|
1.0
|
|
C3B
|
B:HEC602
|
4.3
|
14.2
|
1.0
|
|
C2D
|
B:HEC602
|
4.3
|
16.2
|
1.0
|
|
C3C
|
B:HEC602
|
4.3
|
14.9
|
1.0
|
|
C2B
|
B:HEC602
|
4.3
|
14.9
|
1.0
|
|
C3D
|
B:HEC602
|
4.3
|
15.8
|
1.0
|
|
C3A
|
B:HEC602
|
4.4
|
15.2
|
1.0
|
|
C2A
|
B:HEC602
|
4.4
|
16.0
|
1.0
|
|
C2C
|
B:HEC602
|
4.4
|
14.8
|
1.0
|
|
CE
|
B:MET384
|
4.9
|
19.0
|
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 To Be Published.
Page generated: Mon Aug 5 08:43:37 2024
|
