Iron in PDB 1ngk: Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
Protein crystallography data
The structure of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O, PDB code: 1ngk
was solved by
M.Milani,
P.-Y.Savard,
H.Oullet,
P.Ascenzi,
M.Guertin,
M.Bolognesi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
50.00 /
2.11
|
|
Space group
|
I 41 2 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
187.034,
187.034,
274.861,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
18.6 /
22.6
|
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Iron atom in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
(pdb code 1ngk). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the
Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O, PDB code: 1ngk:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 1 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe700
b:14.5
occ:1.00
|
FE
|
A:HEM700
|
0.0
|
14.5
|
1.0
|
|
C
|
A:CYN800
|
1.8
|
14.5
|
1.0
|
|
NC
|
A:HEM700
|
2.0
|
13.3
|
1.0
|
|
NE2
|
A:HIS75
|
2.0
|
12.5
|
1.0
|
|
NA
|
A:HEM700
|
2.0
|
14.3
|
1.0
|
|
NB
|
A:HEM700
|
2.0
|
14.4
|
1.0
|
|
ND
|
A:HEM700
|
2.1
|
14.0
|
1.0
|
|
N
|
A:CYN800
|
3.0
|
11.3
|
1.0
|
|
CE1
|
A:HIS75
|
3.0
|
13.6
|
1.0
|
|
C4D
|
A:HEM700
|
3.0
|
15.0
|
1.0
|
|
C1A
|
A:HEM700
|
3.0
|
14.2
|
1.0
|
|
C4B
|
A:HEM700
|
3.0
|
14.1
|
1.0
|
|
C1C
|
A:HEM700
|
3.1
|
15.2
|
1.0
|
|
C4C
|
A:HEM700
|
3.1
|
13.9
|
1.0
|
|
CD2
|
A:HIS75
|
3.1
|
13.0
|
1.0
|
|
C1B
|
A:HEM700
|
3.1
|
13.8
|
1.0
|
|
C4A
|
A:HEM700
|
3.1
|
15.6
|
1.0
|
|
C1D
|
A:HEM700
|
3.1
|
11.6
|
1.0
|
|
CHA
|
A:HEM700
|
3.4
|
13.3
|
1.0
|
|
CHC
|
A:HEM700
|
3.4
|
14.7
|
1.0
|
|
CHD
|
A:HEM700
|
3.5
|
13.2
|
1.0
|
|
CHB
|
A:HEM700
|
3.5
|
14.5
|
1.0
|
|
ND1
|
A:HIS75
|
4.1
|
12.1
|
1.0
|
|
CG
|
A:HIS75
|
4.2
|
14.4
|
1.0
|
|
C3C
|
A:HEM700
|
4.3
|
13.8
|
1.0
|
|
C2C
|
A:HEM700
|
4.3
|
13.7
|
1.0
|
|
C3B
|
A:HEM700
|
4.3
|
13.5
|
1.0
|
|
C2A
|
A:HEM700
|
4.3
|
13.4
|
1.0
|
|
C3D
|
A:HEM700
|
4.3
|
13.8
|
1.0
|
|
C2B
|
A:HEM700
|
4.3
|
15.0
|
1.0
|
|
C3A
|
A:HEM700
|
4.3
|
14.9
|
1.0
|
|
C2D
|
A:HEM700
|
4.3
|
13.1
|
1.0
|
|
NE1
|
A:TRP88
|
4.4
|
14.5
|
1.0
|
|
OH
|
A:TYR36
|
4.8
|
14.5
|
1.0
|
|
O
|
A:HOH2034
|
4.9
|
20.1
|
1.0
|
|
Iron binding site 2 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 2 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe700
b:16.1
occ:1.00
|
FE
|
B:HEM700
|
0.0
|
16.1
|
1.0
|
|
C
|
B:CYN800
|
1.8
|
19.0
|
1.0
|
|
NA
|
B:HEM700
|
2.0
|
18.0
|
1.0
|
|
NB
|
B:HEM700
|
2.0
|
15.9
|
1.0
|
|
NC
|
B:HEM700
|
2.1
|
15.2
|
1.0
|
|
NE2
|
B:HIS75
|
2.1
|
18.0
|
1.0
|
|
ND
|
B:HEM700
|
2.1
|
16.1
|
1.0
|
|
N
|
B:CYN800
|
2.9
|
16.1
|
1.0
|
|
CE1
|
B:HIS75
|
3.0
|
17.4
|
1.0
|
|
C4A
|
B:HEM700
|
3.1
|
17.1
|
1.0
|
|
C1A
|
B:HEM700
|
3.1
|
16.6
|
1.0
|
|
C1B
|
B:HEM700
|
3.1
|
16.8
|
1.0
|
|
C4C
|
B:HEM700
|
3.1
|
16.1
|
1.0
|
|
C1D
|
B:HEM700
|
3.1
|
15.2
|
1.0
|
|
CD2
|
B:HIS75
|
3.1
|
16.5
|
1.0
|
|
C4B
|
B:HEM700
|
3.1
|
16.7
|
1.0
|
|
C4D
|
B:HEM700
|
3.1
|
17.0
|
1.0
|
|
C1C
|
B:HEM700
|
3.1
|
16.6
|
1.0
|
|
CHB
|
B:HEM700
|
3.4
|
16.0
|
1.0
|
|
CHD
|
B:HEM700
|
3.4
|
13.9
|
1.0
|
|
CHA
|
B:HEM700
|
3.4
|
15.2
|
1.0
|
|
CHC
|
B:HEM700
|
3.4
|
15.7
|
1.0
|
|
ND1
|
B:HIS75
|
4.1
|
15.3
|
1.0
|
|
CG
|
B:HIS75
|
4.2
|
17.0
|
1.0
|
|
C2A
|
B:HEM700
|
4.3
|
16.6
|
1.0
|
|
C3A
|
B:HEM700
|
4.3
|
16.5
|
1.0
|
|
C3C
|
B:HEM700
|
4.3
|
17.0
|
1.0
|
|
C2B
|
B:HEM700
|
4.3
|
15.4
|
1.0
|
|
C3B
|
B:HEM700
|
4.3
|
15.0
|
1.0
|
|
C2C
|
B:HEM700
|
4.3
|
16.6
|
1.0
|
|
C2D
|
B:HEM700
|
4.3
|
15.4
|
1.0
|
|
C3D
|
B:HEM700
|
4.3
|
15.9
|
1.0
|
|
NE1
|
B:TRP88
|
4.4
|
17.1
|
1.0
|
|
OH
|
B:TYR36
|
4.7
|
18.6
|
1.0
|
|
O
|
B:HOH2020
|
4.8
|
20.9
|
1.0
|
|
CD1
|
B:LEU123
|
4.9
|
18.5
|
1.0
|
|
Iron binding site 3 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 3 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe700
b:13.1
occ:1.00
|
FE
|
C:HEM700
|
0.0
|
13.1
|
1.0
|
|
C
|
C:CYN800
|
1.9
|
10.6
|
1.0
|
|
NA
|
C:HEM700
|
2.0
|
11.6
|
1.0
|
|
NC
|
C:HEM700
|
2.0
|
13.0
|
1.0
|
|
ND
|
C:HEM700
|
2.0
|
12.2
|
1.0
|
|
NB
|
C:HEM700
|
2.1
|
9.8
|
1.0
|
|
NE2
|
C:HIS75
|
2.1
|
13.1
|
1.0
|
|
CD2
|
C:HIS75
|
3.0
|
12.6
|
1.0
|
|
C1A
|
C:HEM700
|
3.0
|
13.7
|
1.0
|
|
C4C
|
C:HEM700
|
3.0
|
14.0
|
1.0
|
|
N
|
C:CYN800
|
3.0
|
8.6
|
1.0
|
|
C4A
|
C:HEM700
|
3.0
|
11.4
|
1.0
|
|
C4D
|
C:HEM700
|
3.0
|
11.8
|
1.0
|
|
C1D
|
C:HEM700
|
3.0
|
11.3
|
1.0
|
|
C1C
|
C:HEM700
|
3.1
|
12.6
|
1.0
|
|
C1B
|
C:HEM700
|
3.1
|
11.5
|
1.0
|
|
C4B
|
C:HEM700
|
3.1
|
10.1
|
1.0
|
|
CE1
|
C:HIS75
|
3.1
|
15.4
|
1.0
|
|
CHD
|
C:HEM700
|
3.4
|
11.9
|
1.0
|
|
CHA
|
C:HEM700
|
3.4
|
10.8
|
1.0
|
|
CHB
|
C:HEM700
|
3.4
|
10.0
|
1.0
|
|
CHC
|
C:HEM700
|
3.5
|
11.5
|
1.0
|
|
CG
|
C:HIS75
|
4.2
|
13.1
|
1.0
|
|
ND1
|
C:HIS75
|
4.2
|
11.7
|
1.0
|
|
C2A
|
C:HEM700
|
4.2
|
12.2
|
1.0
|
|
C3C
|
C:HEM700
|
4.2
|
15.6
|
1.0
|
|
C3A
|
C:HEM700
|
4.2
|
10.8
|
1.0
|
|
C2C
|
C:HEM700
|
4.3
|
13.5
|
1.0
|
|
C3D
|
C:HEM700
|
4.3
|
12.3
|
1.0
|
|
C2D
|
C:HEM700
|
4.3
|
11.3
|
1.0
|
|
C2B
|
C:HEM700
|
4.3
|
9.1
|
1.0
|
|
C3B
|
C:HEM700
|
4.3
|
9.3
|
1.0
|
|
NE1
|
C:TRP88
|
4.4
|
13.1
|
1.0
|
|
O
|
C:HOH2036
|
4.8
|
16.0
|
1.0
|
|
OH
|
C:TYR36
|
4.9
|
16.0
|
1.0
|
|
CD1
|
C:LEU123
|
4.9
|
10.8
|
1.0
|
|
Iron binding site 4 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 4 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe700
b:16.2
occ:1.00
|
FE
|
D:HEM700
|
0.0
|
16.2
|
1.0
|
|
NC
|
D:HEM700
|
2.0
|
15.5
|
1.0
|
|
NA
|
D:HEM700
|
2.0
|
16.1
|
1.0
|
|
C
|
D:CYN800
|
2.0
|
14.0
|
1.0
|
|
NB
|
D:HEM700
|
2.1
|
16.1
|
1.0
|
|
ND
|
D:HEM700
|
2.1
|
16.8
|
1.0
|
|
NE2
|
D:HIS75
|
2.1
|
17.0
|
1.0
|
|
CE1
|
D:HIS75
|
3.0
|
15.5
|
1.0
|
|
C4C
|
D:HEM700
|
3.0
|
15.3
|
1.0
|
|
C1C
|
D:HEM700
|
3.0
|
14.7
|
1.0
|
|
C4A
|
D:HEM700
|
3.0
|
18.0
|
1.0
|
|
C1A
|
D:HEM700
|
3.1
|
17.1
|
1.0
|
|
C1D
|
D:HEM700
|
3.1
|
17.1
|
1.0
|
|
C1B
|
D:HEM700
|
3.1
|
14.1
|
1.0
|
|
C4D
|
D:HEM700
|
3.1
|
14.9
|
1.0
|
|
CD2
|
D:HIS75
|
3.1
|
15.4
|
1.0
|
|
C4B
|
D:HEM700
|
3.1
|
13.8
|
1.0
|
|
N
|
D:CYN800
|
3.2
|
14.8
|
1.0
|
|
CHD
|
D:HEM700
|
3.4
|
16.0
|
1.0
|
|
CHB
|
D:HEM700
|
3.4
|
15.7
|
1.0
|
|
CHA
|
D:HEM700
|
3.4
|
14.9
|
1.0
|
|
CHC
|
D:HEM700
|
3.4
|
15.4
|
1.0
|
|
ND1
|
D:HIS75
|
4.1
|
14.5
|
1.0
|
|
CG
|
D:HIS75
|
4.2
|
17.2
|
1.0
|
|
C3C
|
D:HEM700
|
4.2
|
14.4
|
1.0
|
|
C2C
|
D:HEM700
|
4.2
|
13.8
|
1.0
|
|
C2A
|
D:HEM700
|
4.3
|
18.5
|
1.0
|
|
C3A
|
D:HEM700
|
4.3
|
17.4
|
1.0
|
|
C2B
|
D:HEM700
|
4.3
|
12.6
|
1.0
|
|
C2D
|
D:HEM700
|
4.3
|
15.4
|
1.0
|
|
C3D
|
D:HEM700
|
4.3
|
15.7
|
1.0
|
|
C3B
|
D:HEM700
|
4.3
|
13.4
|
1.0
|
|
NE1
|
D:TRP88
|
4.4
|
12.5
|
1.0
|
|
OH
|
D:TYR36
|
4.9
|
16.1
|
1.0
|
|
O
|
D:HOH2049
|
4.9
|
20.7
|
1.0
|
|
Iron binding site 5 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 5 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe700
b:19.2
occ:1.00
|
FE
|
E:HEM700
|
0.0
|
19.2
|
1.0
|
|
C
|
E:CYN800
|
1.9
|
23.0
|
1.0
|
|
NA
|
E:HEM700
|
2.0
|
19.2
|
1.0
|
|
NB
|
E:HEM700
|
2.0
|
16.9
|
1.0
|
|
NC
|
E:HEM700
|
2.0
|
17.8
|
1.0
|
|
NE2
|
E:HIS75
|
2.0
|
18.4
|
1.0
|
|
ND
|
E:HEM700
|
2.1
|
18.5
|
1.0
|
|
N
|
E:CYN800
|
2.9
|
19.1
|
1.0
|
|
CD2
|
E:HIS75
|
3.0
|
18.4
|
1.0
|
|
C1A
|
E:HEM700
|
3.0
|
21.0
|
1.0
|
|
C4B
|
E:HEM700
|
3.0
|
16.9
|
1.0
|
|
C4A
|
E:HEM700
|
3.0
|
20.3
|
1.0
|
|
C1C
|
E:HEM700
|
3.0
|
18.3
|
1.0
|
|
C1B
|
E:HEM700
|
3.0
|
17.3
|
1.0
|
|
CE1
|
E:HIS75
|
3.0
|
18.1
|
1.0
|
|
C4C
|
E:HEM700
|
3.1
|
20.0
|
1.0
|
|
C4D
|
E:HEM700
|
3.1
|
18.3
|
1.0
|
|
C1D
|
E:HEM700
|
3.1
|
18.3
|
1.0
|
|
CHC
|
E:HEM700
|
3.4
|
18.1
|
1.0
|
|
CHB
|
E:HEM700
|
3.4
|
17.6
|
1.0
|
|
CHA
|
E:HEM700
|
3.4
|
18.6
|
1.0
|
|
CHD
|
E:HEM700
|
3.5
|
19.5
|
1.0
|
|
CG
|
E:HIS75
|
4.1
|
18.1
|
1.0
|
|
ND1
|
E:HIS75
|
4.1
|
19.3
|
1.0
|
|
C2A
|
E:HEM700
|
4.2
|
21.6
|
1.0
|
|
C3A
|
E:HEM700
|
4.2
|
21.0
|
1.0
|
|
C3B
|
E:HEM700
|
4.2
|
17.3
|
1.0
|
|
C2B
|
E:HEM700
|
4.3
|
17.1
|
1.0
|
|
C2C
|
E:HEM700
|
4.3
|
20.2
|
1.0
|
|
C3C
|
E:HEM700
|
4.3
|
19.1
|
1.0
|
|
C3D
|
E:HEM700
|
4.4
|
19.9
|
1.0
|
|
NE1
|
E:TRP88
|
4.4
|
19.8
|
1.0
|
|
C2D
|
E:HEM700
|
4.4
|
18.0
|
1.0
|
|
O
|
E:HOH308
|
4.7
|
28.1
|
1.0
|
|
OH
|
E:TYR36
|
4.7
|
21.5
|
1.0
|
|
Iron binding site 6 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 6 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe700
b:16.2
occ:1.00
|
FE
|
F:HEM700
|
0.0
|
16.2
|
1.0
|
|
C
|
F:CYN800
|
1.9
|
21.8
|
1.0
|
|
NA
|
F:HEM700
|
2.0
|
14.3
|
1.0
|
|
NC
|
F:HEM700
|
2.0
|
14.6
|
1.0
|
|
ND
|
F:HEM700
|
2.0
|
17.3
|
1.0
|
|
NB
|
F:HEM700
|
2.1
|
13.9
|
1.0
|
|
NE2
|
F:HIS75
|
2.1
|
19.5
|
1.0
|
|
N
|
F:CYN800
|
2.9
|
17.3
|
1.0
|
|
C1A
|
F:HEM700
|
3.0
|
17.1
|
1.0
|
|
CD2
|
F:HIS75
|
3.0
|
19.0
|
1.0
|
|
C4C
|
F:HEM700
|
3.0
|
14.3
|
1.0
|
|
C4D
|
F:HEM700
|
3.0
|
17.1
|
1.0
|
|
C4A
|
F:HEM700
|
3.1
|
16.8
|
1.0
|
|
C1C
|
F:HEM700
|
3.1
|
15.4
|
1.0
|
|
C4B
|
F:HEM700
|
3.1
|
14.6
|
1.0
|
|
C1D
|
F:HEM700
|
3.1
|
17.9
|
1.0
|
|
C1B
|
F:HEM700
|
3.1
|
14.4
|
1.0
|
|
CE1
|
F:HIS75
|
3.1
|
18.3
|
1.0
|
|
CHA
|
F:HEM700
|
3.4
|
16.3
|
1.0
|
|
CHD
|
F:HEM700
|
3.4
|
17.9
|
1.0
|
|
CHC
|
F:HEM700
|
3.4
|
14.1
|
1.0
|
|
CHB
|
F:HEM700
|
3.5
|
14.0
|
1.0
|
|
ND1
|
F:HIS75
|
4.2
|
17.7
|
1.0
|
|
CG
|
F:HIS75
|
4.2
|
16.5
|
1.0
|
|
C2A
|
F:HEM700
|
4.2
|
17.1
|
1.0
|
|
C3C
|
F:HEM700
|
4.3
|
15.8
|
1.0
|
|
C3A
|
F:HEM700
|
4.3
|
15.6
|
1.0
|
|
C2C
|
F:HEM700
|
4.3
|
15.1
|
1.0
|
|
C3D
|
F:HEM700
|
4.3
|
16.7
|
1.0
|
|
C3B
|
F:HEM700
|
4.3
|
13.1
|
1.0
|
|
C2B
|
F:HEM700
|
4.3
|
15.1
|
1.0
|
|
C2D
|
F:HEM700
|
4.3
|
16.7
|
1.0
|
|
NE1
|
F:TRP88
|
4.4
|
14.7
|
1.0
|
|
O
|
F:HOH842
|
4.8
|
25.9
|
1.0
|
|
OH
|
F:TYR36
|
4.8
|
17.8
|
1.0
|
|
Iron binding site 7 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 7 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe700
b:15.7
occ:1.00
|
FE
|
G:HEM700
|
0.0
|
15.7
|
1.0
|
|
C
|
G:CYN800
|
1.8
|
23.7
|
1.0
|
|
NA
|
G:HEM700
|
2.0
|
17.0
|
1.0
|
|
NC
|
G:HEM700
|
2.0
|
14.2
|
1.0
|
|
NB
|
G:HEM700
|
2.1
|
13.6
|
1.0
|
|
NE2
|
G:HIS75
|
2.1
|
17.6
|
1.0
|
|
ND
|
G:HEM700
|
2.1
|
17.1
|
1.0
|
|
N
|
G:CYN800
|
2.9
|
20.1
|
1.0
|
|
C4A
|
G:HEM700
|
3.0
|
17.9
|
1.0
|
|
C4C
|
G:HEM700
|
3.0
|
15.0
|
1.0
|
|
CD2
|
G:HIS75
|
3.0
|
13.4
|
1.0
|
|
C1A
|
G:HEM700
|
3.0
|
17.7
|
1.0
|
|
C1B
|
G:HEM700
|
3.0
|
15.1
|
1.0
|
|
C1D
|
G:HEM700
|
3.1
|
14.6
|
1.0
|
|
CE1
|
G:HIS75
|
3.1
|
17.7
|
1.0
|
|
C1C
|
G:HEM700
|
3.1
|
14.8
|
1.0
|
|
C4D
|
G:HEM700
|
3.1
|
16.6
|
1.0
|
|
C4B
|
G:HEM700
|
3.1
|
14.4
|
1.0
|
|
CHB
|
G:HEM700
|
3.4
|
17.2
|
1.0
|
|
CHD
|
G:HEM700
|
3.4
|
14.4
|
1.0
|
|
CHA
|
G:HEM700
|
3.4
|
16.4
|
1.0
|
|
CHC
|
G:HEM700
|
3.5
|
14.4
|
1.0
|
|
ND1
|
G:HIS75
|
4.2
|
19.2
|
1.0
|
|
CG
|
G:HIS75
|
4.2
|
15.5
|
1.0
|
|
C3A
|
G:HEM700
|
4.2
|
18.7
|
1.0
|
|
C2A
|
G:HEM700
|
4.2
|
19.7
|
1.0
|
|
C3C
|
G:HEM700
|
4.3
|
16.1
|
1.0
|
|
C2B
|
G:HEM700
|
4.3
|
15.9
|
1.0
|
|
C2C
|
G:HEM700
|
4.3
|
13.4
|
1.0
|
|
C2D
|
G:HEM700
|
4.3
|
16.5
|
1.0
|
|
C3B
|
G:HEM700
|
4.3
|
13.1
|
1.0
|
|
C3D
|
G:HEM700
|
4.3
|
16.4
|
1.0
|
|
NE1
|
G:TRP88
|
4.5
|
17.9
|
1.0
|
|
OH
|
G:TYR36
|
4.6
|
31.0
|
1.0
|
|
Iron binding site 8 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 8 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe700
b:17.5
occ:1.00
|
FE
|
H:HEM700
|
0.0
|
17.5
|
1.0
|
|
C
|
H:CYN800
|
1.8
|
14.1
|
1.0
|
|
NA
|
H:HEM700
|
2.0
|
16.5
|
1.0
|
|
NE2
|
H:HIS75
|
2.0
|
21.1
|
1.0
|
|
NC
|
H:HEM700
|
2.0
|
18.1
|
1.0
|
|
ND
|
H:HEM700
|
2.1
|
17.3
|
1.0
|
|
NB
|
H:HEM700
|
2.1
|
16.3
|
1.0
|
|
N
|
H:CYN800
|
2.9
|
16.2
|
1.0
|
|
CD2
|
H:HIS75
|
3.0
|
18.5
|
1.0
|
|
C1A
|
H:HEM700
|
3.0
|
15.7
|
1.0
|
|
C4A
|
H:HEM700
|
3.0
|
17.3
|
1.0
|
|
C4C
|
H:HEM700
|
3.0
|
19.0
|
1.0
|
|
CE1
|
H:HIS75
|
3.0
|
20.1
|
1.0
|
|
C4D
|
H:HEM700
|
3.0
|
16.3
|
1.0
|
|
C1D
|
H:HEM700
|
3.1
|
16.6
|
1.0
|
|
C1C
|
H:HEM700
|
3.1
|
18.5
|
1.0
|
|
C1B
|
H:HEM700
|
3.1
|
16.4
|
1.0
|
|
C4B
|
H:HEM700
|
3.1
|
18.6
|
1.0
|
|
CHA
|
H:HEM700
|
3.4
|
15.7
|
1.0
|
|
CHD
|
H:HEM700
|
3.4
|
18.4
|
1.0
|
|
CHB
|
H:HEM700
|
3.4
|
17.0
|
1.0
|
|
CHC
|
H:HEM700
|
3.5
|
19.4
|
1.0
|
|
CG
|
H:HIS75
|
4.1
|
20.9
|
1.0
|
|
ND1
|
H:HIS75
|
4.1
|
19.6
|
1.0
|
|
C2A
|
H:HEM700
|
4.2
|
18.6
|
1.0
|
|
C3A
|
H:HEM700
|
4.2
|
16.1
|
1.0
|
|
C3C
|
H:HEM700
|
4.3
|
19.6
|
1.0
|
|
C2C
|
H:HEM700
|
4.3
|
17.7
|
1.0
|
|
C3D
|
H:HEM700
|
4.3
|
15.6
|
1.0
|
|
C2D
|
H:HEM700
|
4.3
|
16.5
|
1.0
|
|
C3B
|
H:HEM700
|
4.3
|
16.8
|
1.0
|
|
C2B
|
H:HEM700
|
4.3
|
16.8
|
1.0
|
|
NE1
|
H:TRP88
|
4.5
|
17.3
|
1.0
|
|
OH
|
H:TYR36
|
4.7
|
31.7
|
1.0
|
|
CD1
|
H:LEU123
|
4.8
|
20.2
|
1.0
|
|
Iron binding site 9 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 9 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe700
b:15.7
occ:1.00
|
FE
|
I:HEM700
|
0.0
|
15.7
|
1.0
|
|
C
|
I:CYN800
|
1.8
|
22.8
|
1.0
|
|
NA
|
I:HEM700
|
2.0
|
13.6
|
1.0
|
|
NB
|
I:HEM700
|
2.0
|
14.1
|
1.0
|
|
NC
|
I:HEM700
|
2.0
|
14.5
|
1.0
|
|
NE2
|
I:HIS75
|
2.0
|
13.7
|
1.0
|
|
ND
|
I:HEM700
|
2.1
|
14.2
|
1.0
|
|
N
|
I:CYN800
|
2.9
|
16.7
|
1.0
|
|
CD2
|
I:HIS75
|
3.0
|
13.6
|
1.0
|
|
C4A
|
I:HEM700
|
3.0
|
16.0
|
1.0
|
|
C1A
|
I:HEM700
|
3.0
|
14.5
|
1.0
|
|
C1B
|
I:HEM700
|
3.0
|
14.3
|
1.0
|
|
CE1
|
I:HIS75
|
3.0
|
14.7
|
1.0
|
|
C4C
|
I:HEM700
|
3.1
|
16.1
|
1.0
|
|
C1C
|
I:HEM700
|
3.1
|
15.0
|
1.0
|
|
C4B
|
I:HEM700
|
3.1
|
15.5
|
1.0
|
|
C4D
|
I:HEM700
|
3.1
|
14.0
|
1.0
|
|
C1D
|
I:HEM700
|
3.1
|
14.1
|
1.0
|
|
CHB
|
I:HEM700
|
3.4
|
13.7
|
1.0
|
|
CHA
|
I:HEM700
|
3.4
|
13.7
|
1.0
|
|
CHD
|
I:HEM700
|
3.4
|
13.7
|
1.0
|
|
CHC
|
I:HEM700
|
3.4
|
15.2
|
1.0
|
|
ND1
|
I:HIS75
|
4.1
|
15.4
|
1.0
|
|
CG
|
I:HIS75
|
4.1
|
14.9
|
1.0
|
|
C2A
|
I:HEM700
|
4.2
|
15.8
|
1.0
|
|
C3A
|
I:HEM700
|
4.2
|
14.5
|
1.0
|
|
C2B
|
I:HEM700
|
4.3
|
12.0
|
1.0
|
|
C3C
|
I:HEM700
|
4.3
|
12.9
|
1.0
|
|
C2C
|
I:HEM700
|
4.3
|
14.3
|
1.0
|
|
C3B
|
I:HEM700
|
4.3
|
12.9
|
1.0
|
|
C3D
|
I:HEM700
|
4.3
|
14.1
|
1.0
|
|
C2D
|
I:HEM700
|
4.3
|
14.7
|
1.0
|
|
NE1
|
I:TRP88
|
4.5
|
17.2
|
1.0
|
|
OH
|
I:TYR36
|
4.6
|
21.6
|
1.0
|
|
Iron binding site 10 out
of 12 in 1ngk
Go back to
Iron Binding Sites List in 1ngk
Iron binding site 10 out
of 12 in the Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystallographic Structure of Mycobacterium Tuberculosis Hemoglobin O within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe700
b:20.7
occ:1.00
|
FE
|
J:HEM700
|
0.0
|
20.7
|
1.0
|
|
C
|
J:CYN800
|
1.9
|
16.9
|
1.0
|
|
NA
|
J:HEM700
|
2.0
|
20.6
|
1.0
|
|
NE2
|
J:HIS75
|
2.0
|
23.0
|
1.0
|
|
NC
|
J:HEM700
|
2.0
|
19.6
|
1.0
|
|
ND
|
J:HEM700
|
2.1
|
21.1
|
1.0
|
|
NB
|
J:HEM700
|
2.1
|
18.1
|
1.0
|
|
CE1
|
J:HIS75
|
3.0
|
21.1
|
1.0
|
|
C1A
|
J:HEM700
|
3.0
|
20.8
|
1.0
|
|
CD2
|
J:HIS75
|
3.0
|
19.4
|
1.0
|
|
C4A
|
J:HEM700
|
3.0
|
22.9
|
1.0
|
|
C4C
|
J:HEM700
|
3.0
|
21.4
|
1.0
|
|
C4D
|
J:HEM700
|
3.0
|
19.6
|
1.0
|
|
C1C
|
J:HEM700
|
3.0
|
19.6
|
1.0
|
|
N
|
J:CYN800
|
3.1
|
21.0
|
1.0
|
|
C1D
|
J:HEM700
|
3.1
|
22.1
|
1.0
|
|
C4B
|
J:HEM700
|
3.1
|
17.8
|
1.0
|
|
C1B
|
J:HEM700
|
3.1
|
18.0
|
1.0
|
|
CHA
|
J:HEM700
|
3.4
|
20.8
|
1.0
|
|
CHD
|
J:HEM700
|
3.4
|
20.4
|
1.0
|
|
CHC
|
J:HEM700
|
3.4
|
20.5
|
1.0
|
|
CHB
|
J:HEM700
|
3.5
|
18.8
|
1.0
|
|
ND1
|
J:HIS75
|
4.1
|
21.0
|
1.0
|
|
CG
|
J:HIS75
|
4.2
|
20.6
|
1.0
|
|
C2A
|
J:HEM700
|
4.2
|
23.1
|
1.0
|
|
C3A
|
J:HEM700
|
4.2
|
22.6
|
1.0
|
|
C3C
|
J:HEM700
|
4.3
|
20.1
|
1.0
|
|
C2C
|
J:HEM700
|
4.3
|
21.4
|
1.0
|
|
C3D
|
J:HEM700
|
4.3
|
21.4
|
1.0
|
|
C2D
|
J:HEM700
|
4.3
|
22.0
|
1.0
|
|
C2B
|
J:HEM700
|
4.3
|
17.8
|
1.0
|
|
C3B
|
J:HEM700
|
4.3
|
17.3
|
1.0
|
|
NE1
|
J:TRP88
|
4.4
|
24.4
|
1.0
|
|
OH
|
J:TYR36
|
4.5
|
33.5
|
1.0
|
|
Reference:
M.Milani,
P.-Y.Savard,
H.Oullet,
P.Ascenzi,
M.Guertin,
M.Bolognesi.
A TYRCD1/TRPG8 Hydrogen Bond Network and A TYRB10-TYRCD1 Covalent Link Shape the Heme Distal Site of Mycobacterium Tuberculosis Hemoglobin O Proc.Natl.Acad.Sci.Usa V. 100 5766 2003.
ISSN: ISSN 0027-8424
PubMed: 12719529
DOI: 10.1073/PNAS.1037676100
Page generated: Sun Dec 13 14:25:35 2020
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