Iron in PDB 2qrw: Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
Protein crystallography data
The structure of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant, PDB code: 2qrw
was solved by
M.Milani,
M.Bolognesi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
40.00 /
1.93
|
|
Space group
|
I 41 2 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
187.312,
187.312,
274.467,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.6 /
21.5
|
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Iron atom in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
(pdb code 2qrw). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the
Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant, PDB code: 2qrw:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 1 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe700
b:16.2
occ:1.00
|
FE
|
A:HEM700
|
0.0
|
16.2
|
1.0
|
|
C
|
A:CYN800
|
1.9
|
16.4
|
1.0
|
|
NC
|
A:HEM700
|
2.0
|
16.1
|
1.0
|
|
NA
|
A:HEM700
|
2.0
|
16.1
|
1.0
|
|
ND
|
A:HEM700
|
2.0
|
16.5
|
1.0
|
|
NB
|
A:HEM700
|
2.1
|
15.5
|
1.0
|
|
NE2
|
A:HIS75
|
2.1
|
15.1
|
1.0
|
|
C1A
|
A:HEM700
|
3.0
|
18.4
|
1.0
|
|
C4C
|
A:HEM700
|
3.0
|
17.8
|
1.0
|
|
C4D
|
A:HEM700
|
3.0
|
20.3
|
1.0
|
|
CD2
|
A:HIS75
|
3.0
|
12.4
|
1.0
|
|
C1C
|
A:HEM700
|
3.0
|
13.8
|
1.0
|
|
C1D
|
A:HEM700
|
3.1
|
14.4
|
1.0
|
|
C4B
|
A:HEM700
|
3.1
|
14.7
|
1.0
|
|
CE1
|
A:HIS75
|
3.1
|
15.5
|
1.0
|
|
N
|
A:CYN800
|
3.1
|
18.9
|
1.0
|
|
C4A
|
A:HEM700
|
3.1
|
15.8
|
1.0
|
|
C1B
|
A:HEM700
|
3.1
|
14.8
|
1.0
|
|
CHA
|
A:HEM700
|
3.4
|
16.5
|
1.0
|
|
CHD
|
A:HEM700
|
3.4
|
10.2
|
1.0
|
|
CHC
|
A:HEM700
|
3.4
|
10.0
|
1.0
|
|
CHB
|
A:HEM700
|
3.5
|
11.8
|
1.0
|
|
ND1
|
A:HIS75
|
4.2
|
10.8
|
1.0
|
|
CG
|
A:HIS75
|
4.2
|
14.3
|
1.0
|
|
C3C
|
A:HEM700
|
4.2
|
17.9
|
1.0
|
|
C2A
|
A:HEM700
|
4.2
|
16.8
|
1.0
|
|
C2C
|
A:HEM700
|
4.3
|
14.0
|
1.0
|
|
C3D
|
A:HEM700
|
4.3
|
16.6
|
1.0
|
|
C3B
|
A:HEM700
|
4.3
|
17.0
|
1.0
|
|
C3A
|
A:HEM700
|
4.3
|
18.1
|
1.0
|
|
C2D
|
A:HEM700
|
4.3
|
15.6
|
1.0
|
|
C2B
|
A:HEM700
|
4.3
|
16.2
|
1.0
|
|
CE1
|
A:PHE88
|
4.8
|
17.6
|
1.0
|
|
O
|
A:HOH810
|
4.8
|
27.7
|
1.0
|
|
OH
|
A:TYR36
|
4.8
|
19.1
|
1.0
|
|
Iron binding site 2 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 2 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe700
b:18.3
occ:1.00
|
FE
|
B:HEM700
|
0.0
|
18.3
|
1.0
|
|
C
|
B:CYN800
|
1.8
|
29.2
|
1.0
|
|
ND
|
B:HEM700
|
2.0
|
18.4
|
1.0
|
|
NC
|
B:HEM700
|
2.0
|
17.4
|
1.0
|
|
NA
|
B:HEM700
|
2.0
|
18.1
|
1.0
|
|
NB
|
B:HEM700
|
2.1
|
17.2
|
1.0
|
|
NE2
|
B:HIS75
|
2.1
|
17.3
|
1.0
|
|
N
|
B:CYN800
|
2.9
|
18.3
|
1.0
|
|
C4C
|
B:HEM700
|
3.0
|
16.9
|
1.0
|
|
C4D
|
B:HEM700
|
3.0
|
19.0
|
1.0
|
|
C1D
|
B:HEM700
|
3.0
|
14.0
|
1.0
|
|
C1A
|
B:HEM700
|
3.0
|
16.9
|
1.0
|
|
C4A
|
B:HEM700
|
3.1
|
21.2
|
1.0
|
|
C1C
|
B:HEM700
|
3.1
|
16.6
|
1.0
|
|
CE1
|
B:HIS75
|
3.1
|
19.1
|
1.0
|
|
CD2
|
B:HIS75
|
3.1
|
15.5
|
1.0
|
|
C1B
|
B:HEM700
|
3.1
|
16.2
|
1.0
|
|
C4B
|
B:HEM700
|
3.1
|
15.6
|
1.0
|
|
CHD
|
B:HEM700
|
3.4
|
15.0
|
1.0
|
|
CHA
|
B:HEM700
|
3.4
|
14.9
|
1.0
|
|
CHB
|
B:HEM700
|
3.5
|
14.2
|
1.0
|
|
CHC
|
B:HEM700
|
3.5
|
17.5
|
1.0
|
|
ND1
|
B:HIS75
|
4.2
|
19.8
|
1.0
|
|
CG
|
B:HIS75
|
4.2
|
22.3
|
1.0
|
|
C3C
|
B:HEM700
|
4.2
|
17.5
|
1.0
|
|
C2A
|
B:HEM700
|
4.2
|
22.0
|
1.0
|
|
C3D
|
B:HEM700
|
4.3
|
15.3
|
1.0
|
|
C2D
|
B:HEM700
|
4.3
|
15.3
|
1.0
|
|
C3A
|
B:HEM700
|
4.3
|
19.2
|
1.0
|
|
C2C
|
B:HEM700
|
4.3
|
16.9
|
1.0
|
|
C3B
|
B:HEM700
|
4.4
|
15.8
|
1.0
|
|
C2B
|
B:HEM700
|
4.4
|
23.4
|
1.0
|
|
CE1
|
B:PHE88
|
4.7
|
17.6
|
1.0
|
|
O
|
B:HOH806
|
4.7
|
24.8
|
1.0
|
|
OH
|
B:TYR36
|
4.8
|
24.3
|
1.0
|
|
CD1
|
B:LEU123
|
5.0
|
16.5
|
1.0
|
|
Iron binding site 3 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 3 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe700
b:15.1
occ:1.00
|
FE
|
C:HEM700
|
0.0
|
15.1
|
1.0
|
|
C
|
C:CYN800
|
1.9
|
14.1
|
1.0
|
|
NA
|
C:HEM700
|
2.0
|
16.2
|
1.0
|
|
NC
|
C:HEM700
|
2.0
|
14.2
|
1.0
|
|
NB
|
C:HEM700
|
2.1
|
14.8
|
1.0
|
|
NE2
|
C:HIS75
|
2.1
|
13.3
|
1.0
|
|
ND
|
C:HEM700
|
2.1
|
15.5
|
1.0
|
|
C1A
|
C:HEM700
|
3.0
|
13.4
|
1.0
|
|
CD2
|
C:HIS75
|
3.0
|
13.8
|
1.0
|
|
C4A
|
C:HEM700
|
3.0
|
17.9
|
1.0
|
|
N
|
C:CYN800
|
3.1
|
16.0
|
1.0
|
|
C4C
|
C:HEM700
|
3.1
|
15.4
|
1.0
|
|
C4D
|
C:HEM700
|
3.1
|
12.8
|
1.0
|
|
C1B
|
C:HEM700
|
3.1
|
11.2
|
1.0
|
|
C1C
|
C:HEM700
|
3.1
|
11.6
|
1.0
|
|
CE1
|
C:HIS75
|
3.1
|
12.5
|
1.0
|
|
C1D
|
C:HEM700
|
3.1
|
13.5
|
1.0
|
|
C4B
|
C:HEM700
|
3.1
|
14.7
|
1.0
|
|
CHA
|
C:HEM700
|
3.4
|
11.7
|
1.0
|
|
CHB
|
C:HEM700
|
3.4
|
8.7
|
1.0
|
|
CHD
|
C:HEM700
|
3.4
|
10.1
|
1.0
|
|
CHC
|
C:HEM700
|
3.5
|
9.8
|
1.0
|
|
ND1
|
C:HIS75
|
4.2
|
11.1
|
1.0
|
|
CG
|
C:HIS75
|
4.2
|
13.2
|
1.0
|
|
C2A
|
C:HEM700
|
4.2
|
19.0
|
1.0
|
|
C3A
|
C:HEM700
|
4.3
|
17.6
|
1.0
|
|
C3C
|
C:HEM700
|
4.3
|
17.5
|
1.0
|
|
C2C
|
C:HEM700
|
4.3
|
14.9
|
1.0
|
|
C2B
|
C:HEM700
|
4.3
|
19.7
|
1.0
|
|
C3B
|
C:HEM700
|
4.3
|
16.7
|
1.0
|
|
C3D
|
C:HEM700
|
4.3
|
16.4
|
1.0
|
|
C2D
|
C:HEM700
|
4.3
|
16.0
|
1.0
|
|
O
|
C:HOH809
|
4.7
|
20.9
|
1.0
|
|
CE1
|
C:PHE88
|
4.8
|
17.4
|
1.0
|
|
OH
|
C:TYR36
|
4.9
|
16.9
|
1.0
|
|
Iron binding site 4 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 4 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe700
b:17.9
occ:1.00
|
FE
|
D:HEM700
|
0.0
|
17.9
|
1.0
|
|
C
|
D:CYN800
|
2.0
|
27.2
|
1.0
|
|
NA
|
D:HEM700
|
2.0
|
18.0
|
1.0
|
|
NC
|
D:HEM700
|
2.0
|
16.8
|
1.0
|
|
NB
|
D:HEM700
|
2.0
|
18.2
|
1.0
|
|
ND
|
D:HEM700
|
2.1
|
19.9
|
1.0
|
|
NE2
|
D:HIS75
|
2.1
|
16.1
|
1.0
|
|
C1A
|
D:HEM700
|
3.0
|
19.2
|
1.0
|
|
N
|
D:CYN800
|
3.0
|
19.0
|
1.0
|
|
C4A
|
D:HEM700
|
3.0
|
18.9
|
1.0
|
|
C4C
|
D:HEM700
|
3.0
|
15.1
|
1.0
|
|
CD2
|
D:HIS75
|
3.0
|
14.2
|
1.0
|
|
C4D
|
D:HEM700
|
3.1
|
20.2
|
1.0
|
|
C1C
|
D:HEM700
|
3.1
|
14.2
|
1.0
|
|
C1B
|
D:HEM700
|
3.1
|
14.3
|
1.0
|
|
C4B
|
D:HEM700
|
3.1
|
16.2
|
1.0
|
|
C1D
|
D:HEM700
|
3.1
|
17.9
|
1.0
|
|
CE1
|
D:HIS75
|
3.1
|
13.3
|
1.0
|
|
CHA
|
D:HEM700
|
3.4
|
18.2
|
1.0
|
|
CHD
|
D:HEM700
|
3.4
|
11.3
|
1.0
|
|
CHB
|
D:HEM700
|
3.4
|
12.2
|
1.0
|
|
CHC
|
D:HEM700
|
3.4
|
14.0
|
1.0
|
|
CG
|
D:HIS75
|
4.2
|
16.7
|
1.0
|
|
ND1
|
D:HIS75
|
4.2
|
15.6
|
1.0
|
|
C2A
|
D:HEM700
|
4.2
|
19.3
|
1.0
|
|
C3A
|
D:HEM700
|
4.2
|
18.3
|
1.0
|
|
C3C
|
D:HEM700
|
4.3
|
15.5
|
1.0
|
|
C2C
|
D:HEM700
|
4.3
|
16.7
|
1.0
|
|
C3B
|
D:HEM700
|
4.3
|
16.2
|
1.0
|
|
C2B
|
D:HEM700
|
4.3
|
15.3
|
1.0
|
|
C3D
|
D:HEM700
|
4.3
|
16.5
|
1.0
|
|
C2D
|
D:HEM700
|
4.3
|
16.4
|
1.0
|
|
CE1
|
D:PHE88
|
4.7
|
14.8
|
1.0
|
|
O
|
D:HOH808
|
4.8
|
20.4
|
1.0
|
|
OH
|
D:TYR36
|
4.8
|
19.1
|
1.0
|
|
Iron binding site 5 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 5 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe700
b:20.9
occ:1.00
|
FE
|
E:HEM700
|
0.0
|
20.9
|
1.0
|
|
NC
|
E:HEM700
|
2.0
|
20.4
|
1.0
|
|
NA
|
E:HEM700
|
2.0
|
19.0
|
1.0
|
|
NB
|
E:HEM700
|
2.1
|
18.0
|
1.0
|
|
ND
|
E:HEM700
|
2.1
|
19.4
|
1.0
|
|
NE2
|
E:HIS75
|
2.1
|
20.2
|
1.0
|
|
C
|
E:CYN800
|
2.4
|
30.0
|
1.0
|
|
N
|
E:CYN800
|
2.9
|
18.5
|
1.0
|
|
C4C
|
E:HEM700
|
3.0
|
18.6
|
1.0
|
|
CD2
|
E:HIS75
|
3.0
|
17.3
|
1.0
|
|
C4A
|
E:HEM700
|
3.0
|
21.2
|
1.0
|
|
C1B
|
E:HEM700
|
3.0
|
14.6
|
1.0
|
|
C1D
|
E:HEM700
|
3.0
|
18.0
|
1.0
|
|
C1A
|
E:HEM700
|
3.1
|
21.7
|
1.0
|
|
C1C
|
E:HEM700
|
3.1
|
24.6
|
1.0
|
|
CE1
|
E:HIS75
|
3.1
|
20.9
|
1.0
|
|
C4D
|
E:HEM700
|
3.1
|
18.6
|
1.0
|
|
C4B
|
E:HEM700
|
3.1
|
18.3
|
1.0
|
|
CHD
|
E:HEM700
|
3.4
|
14.2
|
1.0
|
|
CHB
|
E:HEM700
|
3.4
|
17.2
|
1.0
|
|
CHA
|
E:HEM700
|
3.4
|
19.6
|
1.0
|
|
CHC
|
E:HEM700
|
3.5
|
19.5
|
1.0
|
|
ND1
|
E:HIS75
|
4.2
|
22.6
|
1.0
|
|
CG
|
E:HIS75
|
4.2
|
18.6
|
1.0
|
|
C3C
|
E:HEM700
|
4.2
|
20.9
|
1.0
|
|
C3A
|
E:HEM700
|
4.2
|
23.0
|
1.0
|
|
C2A
|
E:HEM700
|
4.2
|
29.6
|
1.0
|
|
C2C
|
E:HEM700
|
4.3
|
20.7
|
1.0
|
|
C2B
|
E:HEM700
|
4.3
|
18.6
|
1.0
|
|
C2D
|
E:HEM700
|
4.3
|
20.8
|
1.0
|
|
C3B
|
E:HEM700
|
4.3
|
20.6
|
1.0
|
|
C3D
|
E:HEM700
|
4.3
|
17.8
|
1.0
|
|
O
|
E:HOH825
|
4.7
|
34.2
|
1.0
|
|
CE1
|
E:PHE88
|
4.7
|
20.4
|
1.0
|
|
OH
|
E:TYR36
|
4.8
|
24.8
|
1.0
|
|
Iron binding site 6 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 6 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe700
b:17.4
occ:1.00
|
FE
|
F:HEM700
|
0.0
|
17.4
|
1.0
|
|
NA
|
F:HEM700
|
2.0
|
16.2
|
1.0
|
|
C
|
F:CYN800
|
2.0
|
22.0
|
1.0
|
|
NC
|
F:HEM700
|
2.0
|
16.7
|
1.0
|
|
NB
|
F:HEM700
|
2.0
|
18.5
|
1.0
|
|
ND
|
F:HEM700
|
2.1
|
18.4
|
1.0
|
|
NE2
|
F:HIS75
|
2.1
|
16.8
|
1.0
|
|
C1A
|
F:HEM700
|
3.0
|
21.6
|
1.0
|
|
C4A
|
F:HEM700
|
3.0
|
13.4
|
1.0
|
|
C1C
|
F:HEM700
|
3.0
|
16.6
|
1.0
|
|
CD2
|
F:HIS75
|
3.0
|
15.5
|
1.0
|
|
C4B
|
F:HEM700
|
3.0
|
14.1
|
1.0
|
|
C4C
|
F:HEM700
|
3.0
|
17.2
|
1.0
|
|
C4D
|
F:HEM700
|
3.1
|
19.3
|
1.0
|
|
C1B
|
F:HEM700
|
3.1
|
15.8
|
1.0
|
|
C1D
|
F:HEM700
|
3.1
|
16.9
|
1.0
|
|
N
|
F:CYN800
|
3.1
|
24.1
|
1.0
|
|
CE1
|
F:HIS75
|
3.2
|
17.1
|
1.0
|
|
CHC
|
F:HEM700
|
3.4
|
10.4
|
1.0
|
|
CHA
|
F:HEM700
|
3.4
|
13.4
|
1.0
|
|
CHD
|
F:HEM700
|
3.4
|
15.7
|
1.0
|
|
CHB
|
F:HEM700
|
3.5
|
10.7
|
1.0
|
|
C2A
|
F:HEM700
|
4.2
|
22.1
|
1.0
|
|
CG
|
F:HIS75
|
4.2
|
18.6
|
1.0
|
|
C3A
|
F:HEM700
|
4.2
|
19.1
|
1.0
|
|
ND1
|
F:HIS75
|
4.2
|
17.9
|
1.0
|
|
C2C
|
F:HEM700
|
4.3
|
16.6
|
1.0
|
|
C3C
|
F:HEM700
|
4.3
|
18.9
|
1.0
|
|
C3B
|
F:HEM700
|
4.3
|
14.4
|
1.0
|
|
C2B
|
F:HEM700
|
4.3
|
16.1
|
1.0
|
|
C3D
|
F:HEM700
|
4.3
|
21.1
|
1.0
|
|
C2D
|
F:HEM700
|
4.3
|
14.2
|
1.0
|
|
CE1
|
F:PHE88
|
4.7
|
17.1
|
1.0
|
|
O
|
F:HOH807
|
4.8
|
28.3
|
1.0
|
|
OH
|
F:TYR36
|
4.8
|
19.7
|
1.0
|
|
Iron binding site 7 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 7 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe700
b:18.8
occ:1.00
|
FE
|
G:HEM700
|
0.0
|
18.8
|
1.0
|
|
NC
|
G:HEM700
|
2.0
|
17.9
|
1.0
|
|
NA
|
G:HEM700
|
2.0
|
19.9
|
1.0
|
|
NB
|
G:HEM700
|
2.1
|
15.8
|
1.0
|
|
ND
|
G:HEM700
|
2.1
|
18.8
|
1.0
|
|
C
|
G:CYN800
|
2.1
|
20.0
|
1.0
|
|
NE2
|
G:HIS75
|
2.1
|
19.3
|
1.0
|
|
C4C
|
G:HEM700
|
3.0
|
24.2
|
1.0
|
|
C4A
|
G:HEM700
|
3.0
|
15.8
|
1.0
|
|
C1C
|
G:HEM700
|
3.0
|
16.2
|
1.0
|
|
CD2
|
G:HIS75
|
3.0
|
15.9
|
1.0
|
|
C1A
|
G:HEM700
|
3.1
|
21.4
|
1.0
|
|
N
|
G:CYN800
|
3.1
|
22.6
|
1.0
|
|
C1B
|
G:HEM700
|
3.1
|
15.1
|
1.0
|
|
C4B
|
G:HEM700
|
3.1
|
14.0
|
1.0
|
|
C1D
|
G:HEM700
|
3.1
|
16.7
|
1.0
|
|
C4D
|
G:HEM700
|
3.1
|
18.6
|
1.0
|
|
CE1
|
G:HIS75
|
3.2
|
18.0
|
1.0
|
|
CHB
|
G:HEM700
|
3.4
|
11.0
|
1.0
|
|
CHC
|
G:HEM700
|
3.4
|
16.1
|
1.0
|
|
CHD
|
G:HEM700
|
3.4
|
14.5
|
1.0
|
|
CHA
|
G:HEM700
|
3.5
|
15.0
|
1.0
|
|
C3C
|
G:HEM700
|
4.2
|
20.9
|
1.0
|
|
CG
|
G:HIS75
|
4.2
|
18.3
|
1.0
|
|
C2C
|
G:HEM700
|
4.2
|
18.4
|
1.0
|
|
C3A
|
G:HEM700
|
4.2
|
17.8
|
1.0
|
|
ND1
|
G:HIS75
|
4.2
|
15.1
|
1.0
|
|
C2A
|
G:HEM700
|
4.2
|
23.2
|
1.0
|
|
C3B
|
G:HEM700
|
4.3
|
14.6
|
1.0
|
|
C2B
|
G:HEM700
|
4.3
|
21.7
|
1.0
|
|
C3D
|
G:HEM700
|
4.3
|
22.1
|
1.0
|
|
C2D
|
G:HEM700
|
4.3
|
17.9
|
1.0
|
|
OH
|
G:TYR36
|
4.5
|
20.6
|
1.0
|
|
O
|
G:HOH944
|
4.7
|
30.0
|
1.0
|
|
CE1
|
G:PHE88
|
4.9
|
14.5
|
1.0
|
|
CD1
|
G:LEU123
|
4.9
|
17.4
|
1.0
|
|
Iron binding site 8 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 8 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe700
b:19.5
occ:1.00
|
FE
|
H:HEM700
|
0.0
|
19.5
|
1.0
|
|
C
|
H:CYN800
|
1.8
|
15.7
|
1.0
|
|
NA
|
H:HEM700
|
2.0
|
16.4
|
1.0
|
|
NC
|
H:HEM700
|
2.0
|
21.2
|
1.0
|
|
NB
|
H:HEM700
|
2.1
|
18.6
|
1.0
|
|
ND
|
H:HEM700
|
2.1
|
19.5
|
1.0
|
|
NE2
|
H:HIS75
|
2.1
|
19.1
|
1.0
|
|
N
|
H:CYN800
|
3.0
|
22.0
|
1.0
|
|
CD2
|
H:HIS75
|
3.0
|
19.9
|
1.0
|
|
C1A
|
H:HEM700
|
3.0
|
19.9
|
1.0
|
|
C4A
|
H:HEM700
|
3.0
|
16.2
|
1.0
|
|
C1C
|
H:HEM700
|
3.1
|
19.2
|
1.0
|
|
C4D
|
H:HEM700
|
3.1
|
21.0
|
1.0
|
|
C4C
|
H:HEM700
|
3.1
|
19.6
|
1.0
|
|
C1B
|
H:HEM700
|
3.1
|
15.0
|
1.0
|
|
C4B
|
H:HEM700
|
3.1
|
16.1
|
1.0
|
|
C1D
|
H:HEM700
|
3.1
|
19.8
|
1.0
|
|
CE1
|
H:HIS75
|
3.2
|
20.1
|
1.0
|
|
CHA
|
H:HEM700
|
3.4
|
16.6
|
1.0
|
|
CHB
|
H:HEM700
|
3.4
|
16.7
|
1.0
|
|
CHC
|
H:HEM700
|
3.4
|
22.4
|
1.0
|
|
CHD
|
H:HEM700
|
3.5
|
13.8
|
1.0
|
|
CG
|
H:HIS75
|
4.2
|
22.3
|
1.0
|
|
ND1
|
H:HIS75
|
4.2
|
16.9
|
1.0
|
|
C2A
|
H:HEM700
|
4.3
|
24.6
|
1.0
|
|
C3A
|
H:HEM700
|
4.3
|
20.5
|
1.0
|
|
C2C
|
H:HEM700
|
4.3
|
15.6
|
1.0
|
|
C3C
|
H:HEM700
|
4.3
|
21.3
|
1.0
|
|
C3D
|
H:HEM700
|
4.3
|
18.3
|
1.0
|
|
C3B
|
H:HEM700
|
4.3
|
17.9
|
1.0
|
|
C2B
|
H:HEM700
|
4.3
|
21.6
|
1.0
|
|
C2D
|
H:HEM700
|
4.3
|
21.9
|
1.0
|
|
OH
|
H:TYR36
|
4.5
|
20.4
|
1.0
|
|
O
|
H:HOH827
|
4.7
|
27.7
|
1.0
|
|
CE1
|
H:PHE88
|
4.7
|
17.7
|
1.0
|
|
CD1
|
H:LEU123
|
4.9
|
15.6
|
1.0
|
|
Iron binding site 9 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 9 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe700
b:17.7
occ:1.00
|
FE
|
I:HEM700
|
0.0
|
17.7
|
1.0
|
|
C
|
I:CYN800
|
1.7
|
29.9
|
1.0
|
|
NA
|
I:HEM700
|
2.0
|
18.7
|
1.0
|
|
NC
|
I:HEM700
|
2.0
|
20.0
|
1.0
|
|
NB
|
I:HEM700
|
2.0
|
14.7
|
1.0
|
|
NE2
|
I:HIS75
|
2.1
|
15.6
|
1.0
|
|
ND
|
I:HEM700
|
2.1
|
15.8
|
1.0
|
|
N
|
I:CYN800
|
2.9
|
18.1
|
1.0
|
|
C4A
|
I:HEM700
|
3.0
|
17.2
|
1.0
|
|
C1A
|
I:HEM700
|
3.0
|
21.0
|
1.0
|
|
CE1
|
I:HIS75
|
3.0
|
20.7
|
1.0
|
|
C1B
|
I:HEM700
|
3.0
|
16.1
|
1.0
|
|
C4C
|
I:HEM700
|
3.0
|
19.5
|
1.0
|
|
CD2
|
I:HIS75
|
3.0
|
14.0
|
1.0
|
|
C1C
|
I:HEM700
|
3.1
|
17.5
|
1.0
|
|
C4D
|
I:HEM700
|
3.1
|
18.2
|
1.0
|
|
C4B
|
I:HEM700
|
3.1
|
14.3
|
1.0
|
|
C1D
|
I:HEM700
|
3.1
|
17.1
|
1.0
|
|
CHB
|
I:HEM700
|
3.4
|
13.6
|
1.0
|
|
CHA
|
I:HEM700
|
3.4
|
19.9
|
1.0
|
|
CHD
|
I:HEM700
|
3.4
|
13.7
|
1.0
|
|
CHC
|
I:HEM700
|
3.5
|
13.7
|
1.0
|
|
ND1
|
I:HIS75
|
4.1
|
15.8
|
1.0
|
|
CG
|
I:HIS75
|
4.2
|
18.5
|
1.0
|
|
C2A
|
I:HEM700
|
4.2
|
18.0
|
1.0
|
|
C3A
|
I:HEM700
|
4.2
|
17.0
|
1.0
|
|
C3C
|
I:HEM700
|
4.2
|
15.0
|
1.0
|
|
C2B
|
I:HEM700
|
4.3
|
17.6
|
1.0
|
|
C2C
|
I:HEM700
|
4.3
|
13.6
|
1.0
|
|
C3B
|
I:HEM700
|
4.3
|
14.1
|
1.0
|
|
C3D
|
I:HEM700
|
4.3
|
15.8
|
1.0
|
|
C2D
|
I:HEM700
|
4.4
|
17.4
|
1.0
|
|
OH
|
I:TYR36
|
4.5
|
19.0
|
1.0
|
|
O
|
I:HOH806
|
4.5
|
24.8
|
1.0
|
|
CE1
|
I:PHE88
|
4.8
|
18.9
|
1.0
|
|
CD1
|
I:LEU123
|
4.9
|
14.6
|
1.0
|
|
Iron binding site 10 out
of 12 in 2qrw
Go back to
Iron Binding Sites List in 2qrw
Iron binding site 10 out
of 12 in the Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystal Structure of Mycobacterium Tuberculosis Trhbo WG8F Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe700
b:22.6
occ:1.00
|
FE
|
J:HEM700
|
0.0
|
22.6
|
1.0
|
|
NA
|
J:HEM700
|
2.0
|
21.5
|
1.0
|
|
C
|
J:CYN800
|
2.0
|
22.1
|
1.0
|
|
NC
|
J:HEM700
|
2.0
|
21.4
|
1.0
|
|
NB
|
J:HEM700
|
2.0
|
19.6
|
1.0
|
|
ND
|
J:HEM700
|
2.1
|
23.1
|
1.0
|
|
NE2
|
J:HIS75
|
2.1
|
20.1
|
1.0
|
|
C1A
|
J:HEM700
|
3.0
|
21.8
|
1.0
|
|
C4A
|
J:HEM700
|
3.0
|
24.1
|
1.0
|
|
C4D
|
J:HEM700
|
3.0
|
21.1
|
1.0
|
|
CD2
|
J:HIS75
|
3.0
|
18.3
|
1.0
|
|
C1C
|
J:HEM700
|
3.0
|
22.3
|
1.0
|
|
C4B
|
J:HEM700
|
3.0
|
16.2
|
1.0
|
|
C1B
|
J:HEM700
|
3.0
|
17.0
|
1.0
|
|
C4C
|
J:HEM700
|
3.1
|
23.7
|
1.0
|
|
C1D
|
J:HEM700
|
3.1
|
20.5
|
1.0
|
|
CE1
|
J:HIS75
|
3.1
|
16.2
|
1.0
|
|
N
|
J:CYN800
|
3.2
|
24.8
|
1.0
|
|
CHA
|
J:HEM700
|
3.3
|
21.9
|
1.0
|
|
CHC
|
J:HEM700
|
3.4
|
21.8
|
1.0
|
|
CHB
|
J:HEM700
|
3.4
|
20.9
|
1.0
|
|
CHD
|
J:HEM700
|
3.5
|
21.3
|
1.0
|
|
C2A
|
J:HEM700
|
4.2
|
24.8
|
1.0
|
|
CG
|
J:HIS75
|
4.2
|
23.3
|
1.0
|
|
ND1
|
J:HIS75
|
4.2
|
19.6
|
1.0
|
|
C3A
|
J:HEM700
|
4.2
|
24.5
|
1.0
|
|
C2B
|
J:HEM700
|
4.3
|
20.0
|
1.0
|
|
C3B
|
J:HEM700
|
4.3
|
17.8
|
1.0
|
|
C3C
|
J:HEM700
|
4.3
|
21.5
|
1.0
|
|
C2C
|
J:HEM700
|
4.3
|
27.9
|
1.0
|
|
C3D
|
J:HEM700
|
4.3
|
22.8
|
1.0
|
|
C2D
|
J:HEM700
|
4.3
|
21.5
|
1.0
|
|
OH
|
J:TYR36
|
4.5
|
27.2
|
1.0
|
|
O
|
J:HOH894
|
4.6
|
29.8
|
1.0
|
|
CE1
|
J:PHE88
|
4.8
|
22.0
|
1.0
|
|
CD1
|
J:LEU123
|
4.9
|
21.3
|
1.0
|
|
Reference:
H.Ouellet,
M.Milani,
M.Labarre,
M.Bolognesi,
M.Couture,
M.Guertin.
The Roles of Tyr(CD1) and Trp(G8) in Mycobacterium Tuberculosis Truncated Hemoglobin O in Ligand Binding and on the Heme Distal Site Architecture Biochemistry V. 46 11440 2007.
ISSN: ISSN 0006-2960
PubMed: 17887774
DOI: 10.1021/BI7010288
Page generated: Thu Jul 17 03:49:21 2025
|
