Iron in PDB 7rh5: Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
Enzymatic activity of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
All present enzymatic activity of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free:
1.15.1.1;
7.1.1.8;
7.1.1.9;
Other elements in 7rh5:
The structure of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free 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 Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
(pdb code 7rh5). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the
Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, PDB code: 7rh5:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 1 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Fe602
b:47.0
occ:1.00
|
FE
|
R:HEA602
|
0.0
|
47.0
|
1.0
|
|
NE2
|
R:HIS399
|
1.9
|
47.0
|
1.0
|
|
ND
|
R:HEA602
|
2.0
|
47.0
|
1.0
|
|
NA
|
R:HEA602
|
2.0
|
47.0
|
1.0
|
|
NB
|
R:HEA602
|
2.0
|
47.0
|
1.0
|
|
NC
|
R:HEA602
|
2.0
|
47.0
|
1.0
|
|
NE2
|
R:HIS86
|
2.6
|
44.5
|
1.0
|
|
CE1
|
R:HIS399
|
2.8
|
47.0
|
1.0
|
|
CD2
|
R:HIS399
|
2.9
|
47.0
|
1.0
|
|
C1A
|
R:HEA602
|
3.0
|
47.0
|
1.0
|
|
C4D
|
R:HEA602
|
3.0
|
47.0
|
1.0
|
|
C4B
|
R:HEA602
|
3.0
|
47.0
|
1.0
|
|
C1C
|
R:HEA602
|
3.0
|
47.0
|
1.0
|
|
C1D
|
R:HEA602
|
3.0
|
47.0
|
1.0
|
|
C1B
|
R:HEA602
|
3.0
|
47.0
|
1.0
|
|
C4A
|
R:HEA602
|
3.0
|
47.0
|
1.0
|
|
C4C
|
R:HEA602
|
3.0
|
47.0
|
1.0
|
|
CD2
|
R:HIS86
|
3.2
|
44.5
|
1.0
|
|
CHC
|
R:HEA602
|
3.4
|
47.0
|
1.0
|
|
CHA
|
R:HEA602
|
3.4
|
47.0
|
1.0
|
|
CHD
|
R:HEA602
|
3.4
|
47.0
|
1.0
|
|
CHB
|
R:HEA602
|
3.4
|
47.0
|
1.0
|
|
CE1
|
R:HIS86
|
3.6
|
44.5
|
1.0
|
|
ND1
|
R:HIS399
|
3.9
|
47.0
|
1.0
|
|
CG
|
R:HIS399
|
4.0
|
47.0
|
1.0
|
|
C3A
|
R:HEA602
|
4.3
|
47.0
|
1.0
|
|
C2D
|
R:HEA602
|
4.3
|
47.0
|
1.0
|
|
C2C
|
R:HEA602
|
4.3
|
47.0
|
1.0
|
|
C3B
|
R:HEA602
|
4.3
|
47.0
|
1.0
|
|
C2A
|
R:HEA602
|
4.3
|
47.0
|
1.0
|
|
C2B
|
R:HEA602
|
4.3
|
47.0
|
1.0
|
|
C3C
|
R:HEA602
|
4.3
|
47.0
|
1.0
|
|
C3D
|
R:HEA602
|
4.3
|
47.0
|
1.0
|
|
CG
|
R:HIS86
|
4.4
|
44.5
|
1.0
|
|
ND1
|
R:HIS86
|
4.5
|
44.5
|
1.0
|
|
CZ
|
R:PHE446
|
4.7
|
47.2
|
1.0
|
|
Iron binding site 2 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 2 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Fe603
b:51.2
occ:1.00
|
FE
|
R:HEA603
|
0.0
|
51.2
|
1.0
|
|
NA
|
R:HEA603
|
2.0
|
51.2
|
1.0
|
|
NC
|
R:HEA603
|
2.0
|
51.2
|
1.0
|
|
NB
|
R:HEA603
|
2.0
|
51.2
|
1.0
|
|
ND
|
R:HEA603
|
2.0
|
51.2
|
1.0
|
|
NE2
|
R:HIS397
|
2.8
|
48.9
|
1.0
|
|
C1A
|
R:HEA603
|
3.0
|
51.2
|
1.0
|
|
C4C
|
R:HEA603
|
3.0
|
51.2
|
1.0
|
|
C4A
|
R:HEA603
|
3.0
|
51.2
|
1.0
|
|
C1D
|
R:HEA603
|
3.0
|
51.2
|
1.0
|
|
C4B
|
R:HEA603
|
3.0
|
51.2
|
1.0
|
|
C1B
|
R:HEA603
|
3.0
|
51.2
|
1.0
|
|
C1C
|
R:HEA603
|
3.0
|
51.2
|
1.0
|
|
C4D
|
R:HEA603
|
3.0
|
51.2
|
1.0
|
|
CHC
|
R:HEA603
|
3.4
|
51.2
|
1.0
|
|
CHD
|
R:HEA603
|
3.4
|
51.2
|
1.0
|
|
CHA
|
R:HEA603
|
3.4
|
51.2
|
1.0
|
|
CHB
|
R:HEA603
|
3.4
|
51.2
|
1.0
|
|
CE1
|
R:HIS397
|
3.7
|
48.9
|
1.0
|
|
CD2
|
R:HIS397
|
3.8
|
48.9
|
1.0
|
|
CU
|
R:CU601
|
4.1
|
95.5
|
1.0
|
|
C3A
|
R:HEA603
|
4.3
|
51.2
|
1.0
|
|
C3C
|
R:HEA603
|
4.3
|
51.2
|
1.0
|
|
C2D
|
R:HEA603
|
4.3
|
51.2
|
1.0
|
|
C2B
|
R:HEA603
|
4.3
|
51.2
|
1.0
|
|
C3B
|
R:HEA603
|
4.3
|
51.2
|
1.0
|
|
C2A
|
R:HEA603
|
4.3
|
51.2
|
1.0
|
|
C2C
|
R:HEA603
|
4.3
|
51.2
|
1.0
|
|
C3D
|
R:HEA603
|
4.3
|
51.2
|
1.0
|
|
CE1
|
R:HIS314
|
4.6
|
51.2
|
1.0
|
|
CE1
|
R:HIS313
|
4.6
|
52.4
|
1.0
|
|
ND1
|
R:HIS397
|
4.8
|
48.9
|
1.0
|
|
CE1
|
R:HIS264
|
4.9
|
49.1
|
1.0
|
|
CG
|
R:HIS397
|
5.0
|
48.9
|
1.0
|
|
Iron binding site 3 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 3 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Fe301
b:54.8
occ:1.00
|
FE
|
O:HEC301
|
0.0
|
54.8
|
1.0
|
|
NE2
|
O:HIS91
|
1.8
|
57.2
|
1.0
|
|
NC
|
O:HEC301
|
2.1
|
54.8
|
1.0
|
|
NB
|
O:HEC301
|
2.1
|
54.8
|
1.0
|
|
ND
|
O:HEC301
|
2.1
|
54.8
|
1.0
|
|
NA
|
O:HEC301
|
2.1
|
54.8
|
1.0
|
|
SD
|
O:MET122
|
2.4
|
53.1
|
1.0
|
|
CD2
|
O:HIS91
|
2.6
|
57.2
|
1.0
|
|
CE1
|
O:HIS91
|
2.9
|
57.2
|
1.0
|
|
C1D
|
O:HEC301
|
3.1
|
54.8
|
1.0
|
|
C1B
|
O:HEC301
|
3.1
|
54.8
|
1.0
|
|
C4C
|
O:HEC301
|
3.1
|
54.8
|
1.0
|
|
C4A
|
O:HEC301
|
3.1
|
54.8
|
1.0
|
|
C1C
|
O:HEC301
|
3.1
|
54.8
|
1.0
|
|
C4B
|
O:HEC301
|
3.1
|
54.8
|
1.0
|
|
C1A
|
O:HEC301
|
3.1
|
54.8
|
1.0
|
|
C4D
|
O:HEC301
|
3.1
|
54.8
|
1.0
|
|
CHD
|
O:HEC301
|
3.4
|
54.8
|
1.0
|
|
CHB
|
O:HEC301
|
3.4
|
54.8
|
1.0
|
|
CHC
|
O:HEC301
|
3.5
|
54.8
|
1.0
|
|
CHA
|
O:HEC301
|
3.5
|
54.8
|
1.0
|
|
CG
|
O:MET122
|
3.7
|
53.1
|
1.0
|
|
CE
|
O:MET122
|
3.8
|
53.1
|
1.0
|
|
CG
|
O:HIS91
|
3.8
|
57.2
|
1.0
|
|
ND1
|
O:HIS91
|
3.9
|
57.2
|
1.0
|
|
C3A
|
O:HEC301
|
4.3
|
54.8
|
1.0
|
|
C2C
|
O:HEC301
|
4.3
|
54.8
|
1.0
|
|
C2A
|
O:HEC301
|
4.3
|
54.8
|
1.0
|
|
C2B
|
O:HEC301
|
4.3
|
54.8
|
1.0
|
|
C3B
|
O:HEC301
|
4.3
|
54.8
|
1.0
|
|
C3C
|
O:HEC301
|
4.3
|
54.8
|
1.0
|
|
C2D
|
O:HEC301
|
4.3
|
54.8
|
1.0
|
|
C3D
|
O:HEC301
|
4.3
|
54.8
|
1.0
|
|
O
|
O:MET122
|
4.5
|
53.1
|
1.0
|
|
CD2
|
O:LEU105
|
4.6
|
59.0
|
1.0
|
|
CB
|
O:MET122
|
4.7
|
53.1
|
1.0
|
|
Iron binding site 4 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 4 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Fe302
b:47.5
occ:1.00
|
FE
|
O:HEC302
|
0.0
|
47.5
|
1.0
|
|
NA
|
O:HEC302
|
2.0
|
47.5
|
1.0
|
|
NC
|
O:HEC302
|
2.0
|
47.5
|
1.0
|
|
ND
|
O:HEC302
|
2.0
|
47.5
|
1.0
|
|
NB
|
O:HEC302
|
2.1
|
47.5
|
1.0
|
|
NE2
|
O:HIS192
|
2.1
|
45.5
|
1.0
|
|
CD2
|
O:HIS192
|
2.8
|
45.5
|
1.0
|
|
CE
|
O:MET229
|
2.9
|
48.2
|
1.0
|
|
C4B
|
O:HEC302
|
3.0
|
47.5
|
1.0
|
|
C1C
|
O:HEC302
|
3.0
|
47.5
|
1.0
|
|
C1D
|
O:HEC302
|
3.1
|
47.5
|
1.0
|
|
C4D
|
O:HEC302
|
3.1
|
47.5
|
1.0
|
|
C1B
|
O:HEC302
|
3.1
|
47.5
|
1.0
|
|
C4A
|
O:HEC302
|
3.1
|
47.5
|
1.0
|
|
C1A
|
O:HEC302
|
3.1
|
47.5
|
1.0
|
|
SD
|
O:MET229
|
3.1
|
48.2
|
1.0
|
|
C4C
|
O:HEC302
|
3.1
|
47.5
|
1.0
|
|
CE1
|
O:HIS192
|
3.2
|
45.5
|
1.0
|
|
CHC
|
O:HEC302
|
3.4
|
47.5
|
1.0
|
|
CHD
|
O:HEC302
|
3.4
|
47.5
|
1.0
|
|
CHA
|
O:HEC302
|
3.4
|
47.5
|
1.0
|
|
CHB
|
O:HEC302
|
3.4
|
47.5
|
1.0
|
|
CG
|
O:MET229
|
3.6
|
48.2
|
1.0
|
|
CG
|
O:HIS192
|
4.0
|
45.5
|
1.0
|
|
ND1
|
O:HIS192
|
4.2
|
45.5
|
1.0
|
|
C3B
|
O:HEC302
|
4.2
|
47.5
|
1.0
|
|
C2B
|
O:HEC302
|
4.3
|
47.5
|
1.0
|
|
C2C
|
O:HEC302
|
4.3
|
47.5
|
1.0
|
|
C3A
|
O:HEC302
|
4.3
|
47.5
|
1.0
|
|
C2A
|
O:HEC302
|
4.3
|
47.5
|
1.0
|
|
C2D
|
O:HEC302
|
4.3
|
47.5
|
1.0
|
|
C3D
|
O:HEC302
|
4.3
|
47.5
|
1.0
|
|
C3C
|
O:HEC302
|
4.3
|
47.5
|
1.0
|
|
CB
|
O:MET229
|
4.6
|
48.2
|
1.0
|
|
SG
|
O:CYS188
|
4.9
|
46.2
|
1.0
|
|
Iron binding site 5 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 5 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe603
b:41.0
occ:1.00
|
FE
|
E:HEM603
|
0.0
|
41.0
|
1.0
|
|
NE2
|
E:HIS226
|
2.0
|
42.2
|
1.0
|
|
NB
|
E:HEM603
|
2.0
|
41.0
|
1.0
|
|
NC
|
E:HEM603
|
2.0
|
41.0
|
1.0
|
|
ND
|
E:HEM603
|
2.0
|
41.0
|
1.0
|
|
NA
|
E:HEM603
|
2.1
|
41.0
|
1.0
|
|
NE2
|
E:HIS123
|
2.6
|
41.6
|
1.0
|
|
CE1
|
E:HIS226
|
2.8
|
42.2
|
1.0
|
|
CD2
|
E:HIS123
|
2.8
|
41.6
|
1.0
|
|
CD2
|
E:HIS226
|
2.8
|
42.2
|
1.0
|
|
C4B
|
E:HEM603
|
3.0
|
41.0
|
1.0
|
|
C1B
|
E:HEM603
|
3.0
|
41.0
|
1.0
|
|
C1C
|
E:HEM603
|
3.0
|
41.0
|
1.0
|
|
C4D
|
E:HEM603
|
3.0
|
41.0
|
1.0
|
|
C4A
|
E:HEM603
|
3.0
|
41.0
|
1.0
|
|
C1D
|
E:HEM603
|
3.1
|
41.0
|
1.0
|
|
C4C
|
E:HEM603
|
3.1
|
41.0
|
1.0
|
|
C1A
|
E:HEM603
|
3.1
|
41.0
|
1.0
|
|
CHC
|
E:HEM603
|
3.4
|
41.0
|
1.0
|
|
CHB
|
E:HEM603
|
3.4
|
41.0
|
1.0
|
|
CHD
|
E:HEM603
|
3.4
|
41.0
|
1.0
|
|
CHA
|
E:HEM603
|
3.4
|
41.0
|
1.0
|
|
ND1
|
E:HIS226
|
3.8
|
42.2
|
1.0
|
|
CG
|
E:HIS226
|
3.8
|
42.2
|
1.0
|
|
CE1
|
E:HIS123
|
3.9
|
41.6
|
1.0
|
|
CG
|
E:HIS123
|
4.1
|
41.6
|
1.0
|
|
C3B
|
E:HEM603
|
4.2
|
41.0
|
1.0
|
|
C2B
|
E:HEM603
|
4.2
|
41.0
|
1.0
|
|
C3D
|
E:HEM603
|
4.2
|
41.0
|
1.0
|
|
C2C
|
E:HEM603
|
4.2
|
41.0
|
1.0
|
|
C3A
|
E:HEM603
|
4.3
|
41.0
|
1.0
|
|
C2D
|
E:HEM603
|
4.3
|
41.0
|
1.0
|
|
C3C
|
E:HEM603
|
4.3
|
41.0
|
1.0
|
|
C2A
|
E:HEM603
|
4.3
|
41.0
|
1.0
|
|
ND1
|
E:HIS123
|
4.6
|
41.6
|
1.0
|
|
Iron binding site 6 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 6 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe604
b:38.8
occ:1.00
|
FE
|
E:HEM604
|
0.0
|
38.8
|
1.0
|
|
NE2
|
E:HIS211
|
1.9
|
39.7
|
1.0
|
|
NC
|
E:HEM604
|
2.0
|
38.8
|
1.0
|
|
NA
|
E:HEM604
|
2.0
|
38.8
|
1.0
|
|
NB
|
E:HEM604
|
2.1
|
38.8
|
1.0
|
|
ND
|
E:HEM604
|
2.1
|
38.8
|
1.0
|
|
NE2
|
E:HIS109
|
2.5
|
38.6
|
1.0
|
|
CE1
|
E:HIS211
|
2.8
|
39.7
|
1.0
|
|
CD2
|
E:HIS211
|
3.0
|
39.7
|
1.0
|
|
C4C
|
E:HEM604
|
3.0
|
38.8
|
1.0
|
|
C4A
|
E:HEM604
|
3.0
|
38.8
|
1.0
|
|
C1C
|
E:HEM604
|
3.1
|
38.8
|
1.0
|
|
C1D
|
E:HEM604
|
3.1
|
38.8
|
1.0
|
|
C1B
|
E:HEM604
|
3.1
|
38.8
|
1.0
|
|
C1A
|
E:HEM604
|
3.1
|
38.8
|
1.0
|
|
C4D
|
E:HEM604
|
3.1
|
38.8
|
1.0
|
|
C4B
|
E:HEM604
|
3.1
|
38.8
|
1.0
|
|
CE1
|
E:HIS109
|
3.4
|
38.6
|
1.0
|
|
CHD
|
E:HEM604
|
3.4
|
38.8
|
1.0
|
|
CHB
|
E:HEM604
|
3.4
|
38.8
|
1.0
|
|
CHC
|
E:HEM604
|
3.4
|
38.8
|
1.0
|
|
CHA
|
E:HEM604
|
3.4
|
38.8
|
1.0
|
|
CD2
|
E:HIS109
|
3.5
|
38.6
|
1.0
|
|
ND1
|
E:HIS211
|
3.9
|
39.7
|
1.0
|
|
CG
|
E:HIS211
|
4.1
|
39.7
|
1.0
|
|
C3C
|
E:HEM604
|
4.3
|
38.8
|
1.0
|
|
C3A
|
E:HEM604
|
4.3
|
38.8
|
1.0
|
|
C2D
|
E:HEM604
|
4.3
|
38.8
|
1.0
|
|
C2C
|
E:HEM604
|
4.3
|
38.8
|
1.0
|
|
C3D
|
E:HEM604
|
4.3
|
38.8
|
1.0
|
|
C2A
|
E:HEM604
|
4.3
|
38.8
|
1.0
|
|
C2B
|
E:HEM604
|
4.3
|
38.8
|
1.0
|
|
C3B
|
E:HEM604
|
4.3
|
38.8
|
1.0
|
|
ND1
|
E:HIS109
|
4.5
|
38.6
|
1.0
|
|
CG
|
E:HIS109
|
4.6
|
38.6
|
1.0
|
|
CA
|
E:GLY158
|
4.8
|
38.9
|
1.0
|
|
O
|
E:HIS211
|
4.9
|
39.7
|
1.0
|
|
Iron binding site 7 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 7 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Fe602
b:49.1
occ:1.00
|
FE
|
L:HEA602
|
0.0
|
49.1
|
1.0
|
|
NE2
|
L:HIS399
|
1.9
|
48.8
|
1.0
|
|
NA
|
L:HEA602
|
2.0
|
49.1
|
1.0
|
|
NC
|
L:HEA602
|
2.0
|
49.1
|
1.0
|
|
NB
|
L:HEA602
|
2.0
|
49.1
|
1.0
|
|
ND
|
L:HEA602
|
2.0
|
49.1
|
1.0
|
|
NE2
|
L:HIS86
|
2.6
|
47.4
|
1.0
|
|
CE1
|
L:HIS399
|
2.7
|
48.8
|
1.0
|
|
C1A
|
L:HEA602
|
3.0
|
49.1
|
1.0
|
|
C1B
|
L:HEA602
|
3.0
|
49.1
|
1.0
|
|
C4C
|
L:HEA602
|
3.0
|
49.1
|
1.0
|
|
CD2
|
L:HIS399
|
3.0
|
48.8
|
1.0
|
|
C1D
|
L:HEA602
|
3.0
|
49.1
|
1.0
|
|
C4A
|
L:HEA602
|
3.0
|
49.1
|
1.0
|
|
C1C
|
L:HEA602
|
3.0
|
49.1
|
1.0
|
|
C4D
|
L:HEA602
|
3.0
|
49.1
|
1.0
|
|
C4B
|
L:HEA602
|
3.0
|
49.1
|
1.0
|
|
CD2
|
L:HIS86
|
3.2
|
47.4
|
1.0
|
|
CHC
|
L:HEA602
|
3.4
|
49.1
|
1.0
|
|
CHB
|
L:HEA602
|
3.4
|
49.1
|
1.0
|
|
CHD
|
L:HEA602
|
3.4
|
49.1
|
1.0
|
|
CHA
|
L:HEA602
|
3.4
|
49.1
|
1.0
|
|
CE1
|
L:HIS86
|
3.7
|
47.4
|
1.0
|
|
ND1
|
L:HIS399
|
3.8
|
48.8
|
1.0
|
|
CG
|
L:HIS399
|
4.0
|
48.8
|
1.0
|
|
C3A
|
L:HEA602
|
4.3
|
49.1
|
1.0
|
|
C2B
|
L:HEA602
|
4.3
|
49.1
|
1.0
|
|
C3C
|
L:HEA602
|
4.3
|
49.1
|
1.0
|
|
C2D
|
L:HEA602
|
4.3
|
49.1
|
1.0
|
|
C2A
|
L:HEA602
|
4.3
|
49.1
|
1.0
|
|
C2C
|
L:HEA602
|
4.3
|
49.1
|
1.0
|
|
C3B
|
L:HEA602
|
4.3
|
49.1
|
1.0
|
|
C3D
|
L:HEA602
|
4.3
|
49.1
|
1.0
|
|
CG
|
L:HIS86
|
4.4
|
47.4
|
1.0
|
|
CZ
|
L:PHE446
|
4.5
|
49.0
|
1.0
|
|
ND1
|
L:HIS86
|
4.7
|
47.4
|
1.0
|
|
CE1
|
L:PHE446
|
5.0
|
49.0
|
1.0
|
|
Iron binding site 8 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 8 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Fe603
b:53.6
occ:1.00
|
FE
|
L:HEA603
|
0.0
|
53.6
|
1.0
|
|
NA
|
L:HEA603
|
2.0
|
53.6
|
1.0
|
|
NC
|
L:HEA603
|
2.0
|
53.6
|
1.0
|
|
ND
|
L:HEA603
|
2.0
|
53.6
|
1.0
|
|
NB
|
L:HEA603
|
2.0
|
53.6
|
1.0
|
|
NE2
|
L:HIS397
|
2.8
|
50.9
|
1.0
|
|
C1A
|
L:HEA603
|
3.0
|
53.6
|
1.0
|
|
C4A
|
L:HEA603
|
3.0
|
53.6
|
1.0
|
|
C1C
|
L:HEA603
|
3.0
|
53.6
|
1.0
|
|
C4B
|
L:HEA603
|
3.0
|
53.6
|
1.0
|
|
C1D
|
L:HEA603
|
3.0
|
53.6
|
1.0
|
|
C4C
|
L:HEA603
|
3.0
|
53.6
|
1.0
|
|
C4D
|
L:HEA603
|
3.0
|
53.6
|
1.0
|
|
C1B
|
L:HEA603
|
3.0
|
53.6
|
1.0
|
|
CHC
|
L:HEA603
|
3.4
|
53.6
|
1.0
|
|
CHA
|
L:HEA603
|
3.4
|
53.6
|
1.0
|
|
CHD
|
L:HEA603
|
3.4
|
53.6
|
1.0
|
|
CHB
|
L:HEA603
|
3.4
|
53.6
|
1.0
|
|
CE1
|
L:HIS397
|
3.6
|
50.9
|
1.0
|
|
CD2
|
L:HIS397
|
3.8
|
50.9
|
1.0
|
|
C3A
|
L:HEA603
|
4.3
|
53.6
|
1.0
|
|
C2D
|
L:HEA603
|
4.3
|
53.6
|
1.0
|
|
C3C
|
L:HEA603
|
4.3
|
53.6
|
1.0
|
|
C2C
|
L:HEA603
|
4.3
|
53.6
|
1.0
|
|
C3B
|
L:HEA603
|
4.3
|
53.6
|
1.0
|
|
C2A
|
L:HEA603
|
4.3
|
53.6
|
1.0
|
|
C2B
|
L:HEA603
|
4.3
|
53.6
|
1.0
|
|
C3D
|
L:HEA603
|
4.3
|
53.6
|
1.0
|
|
CU
|
L:CU601
|
4.4
|
84.9
|
1.0
|
|
CE1
|
L:HIS313
|
4.7
|
55.5
|
1.0
|
|
ND1
|
L:HIS397
|
4.8
|
50.9
|
1.0
|
|
CE1
|
L:HIS314
|
4.8
|
54.2
|
1.0
|
|
CG
|
L:HIS397
|
4.9
|
50.9
|
1.0
|
|
Iron binding site 9 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 9 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe301
b:59.1
occ:1.00
|
FE
|
I:HEC301
|
0.0
|
59.1
|
1.0
|
|
NE2
|
I:HIS91
|
1.9
|
61.1
|
1.0
|
|
NC
|
I:HEC301
|
2.1
|
59.1
|
1.0
|
|
NB
|
I:HEC301
|
2.1
|
59.1
|
1.0
|
|
NA
|
I:HEC301
|
2.1
|
59.1
|
1.0
|
|
ND
|
I:HEC301
|
2.2
|
59.1
|
1.0
|
|
CE
|
I:MET122
|
2.7
|
58.0
|
1.0
|
|
CD2
|
I:HIS91
|
2.8
|
61.1
|
1.0
|
|
CE1
|
I:HIS91
|
2.9
|
61.1
|
1.0
|
|
C4A
|
I:HEC301
|
3.1
|
59.1
|
1.0
|
|
C1D
|
I:HEC301
|
3.1
|
59.1
|
1.0
|
|
C4C
|
I:HEC301
|
3.1
|
59.1
|
1.0
|
|
C1A
|
I:HEC301
|
3.1
|
59.1
|
1.0
|
|
C1B
|
I:HEC301
|
3.1
|
59.1
|
1.0
|
|
C1C
|
I:HEC301
|
3.1
|
59.1
|
1.0
|
|
C4B
|
I:HEC301
|
3.1
|
59.1
|
1.0
|
|
C4D
|
I:HEC301
|
3.1
|
59.1
|
1.0
|
|
CHD
|
I:HEC301
|
3.4
|
59.1
|
1.0
|
|
CHB
|
I:HEC301
|
3.4
|
59.1
|
1.0
|
|
CHA
|
I:HEC301
|
3.5
|
59.1
|
1.0
|
|
CHC
|
I:HEC301
|
3.5
|
59.1
|
1.0
|
|
CG
|
I:MET122
|
3.8
|
58.0
|
1.0
|
|
CG
|
I:HIS91
|
3.9
|
61.1
|
1.0
|
|
ND1
|
I:HIS91
|
3.9
|
61.1
|
1.0
|
|
SD
|
I:MET122
|
4.0
|
58.0
|
1.0
|
|
C3A
|
I:HEC301
|
4.3
|
59.1
|
1.0
|
|
C2A
|
I:HEC301
|
4.3
|
59.1
|
1.0
|
|
C2D
|
I:HEC301
|
4.3
|
59.1
|
1.0
|
|
C2C
|
I:HEC301
|
4.3
|
59.1
|
1.0
|
|
C2B
|
I:HEC301
|
4.3
|
59.1
|
1.0
|
|
C3C
|
I:HEC301
|
4.3
|
59.1
|
1.0
|
|
C3B
|
I:HEC301
|
4.3
|
59.1
|
1.0
|
|
C3D
|
I:HEC301
|
4.3
|
59.1
|
1.0
|
|
CD1
|
I:LEU105
|
4.6
|
63.1
|
1.0
|
|
O
|
I:MET122
|
4.8
|
58.0
|
1.0
|
|
Iron binding site 10 out
of 16 in 7rh5
Go back to
Iron Binding Sites List in 7rh5
Iron binding site 10 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe302
b:52.1
occ:1.00
|
FE
|
I:HEC302
|
0.0
|
52.1
|
1.0
|
|
NE2
|
I:HIS192
|
2.0
|
49.9
|
1.0
|
|
NC
|
I:HEC302
|
2.0
|
52.1
|
1.0
|
|
NB
|
I:HEC302
|
2.1
|
52.1
|
1.0
|
|
ND
|
I:HEC302
|
2.1
|
52.1
|
1.0
|
|
NA
|
I:HEC302
|
2.1
|
52.1
|
1.0
|
|
CD2
|
I:HIS192
|
2.7
|
49.9
|
1.0
|
|
CE
|
I:MET229
|
2.9
|
52.5
|
1.0
|
|
C1D
|
I:HEC302
|
3.0
|
52.1
|
1.0
|
|
C1C
|
I:HEC302
|
3.1
|
52.1
|
1.0
|
|
C4B
|
I:HEC302
|
3.1
|
52.1
|
1.0
|
|
C1B
|
I:HEC302
|
3.1
|
52.1
|
1.0
|
|
C4C
|
I:HEC302
|
3.1
|
52.1
|
1.0
|
|
C4D
|
I:HEC302
|
3.1
|
52.1
|
1.0
|
|
C4A
|
I:HEC302
|
3.1
|
52.1
|
1.0
|
|
C1A
|
I:HEC302
|
3.1
|
52.1
|
1.0
|
|
CE1
|
I:HIS192
|
3.2
|
49.9
|
1.0
|
|
CHD
|
I:HEC302
|
3.4
|
52.1
|
1.0
|
|
CHB
|
I:HEC302
|
3.4
|
52.1
|
1.0
|
|
SD
|
I:MET229
|
3.4
|
52.5
|
1.0
|
|
CHC
|
I:HEC302
|
3.4
|
52.1
|
1.0
|
|
CHA
|
I:HEC302
|
3.5
|
52.1
|
1.0
|
|
CG
|
I:HIS192
|
3.9
|
49.9
|
1.0
|
|
ND1
|
I:HIS192
|
4.1
|
49.9
|
1.0
|
|
C2C
|
I:HEC302
|
4.3
|
52.1
|
1.0
|
|
C2D
|
I:HEC302
|
4.3
|
52.1
|
1.0
|
|
C3C
|
I:HEC302
|
4.3
|
52.1
|
1.0
|
|
C2B
|
I:HEC302
|
4.3
|
52.1
|
1.0
|
|
C3D
|
I:HEC302
|
4.3
|
52.1
|
1.0
|
|
C3B
|
I:HEC302
|
4.3
|
52.1
|
1.0
|
|
C3A
|
I:HEC302
|
4.3
|
52.1
|
1.0
|
|
C2A
|
I:HEC302
|
4.3
|
52.1
|
1.0
|
|
SG
|
I:CYS188
|
4.8
|
51.0
|
1.0
|
|
Reference:
D.J.Yanofsky,
J.M.Di Trani,
S.Krol,
R.Abdelaziz,
S.A.Bueler,
P.Imming,
P.Brzezinski,
J.L.Rubinstein.
Structure of Mycobacterial CIII2CIV2 Respiratory Supercomplex Bound to the Tuberculosis Drug Candidate Telacebec (Q203) To Be Published.
Page generated: Sat Aug 21 14:21:48 2021
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