Iron in PDB 7rh7: Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
Enzymatic activity of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
All present enzymatic activity of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound:
1.15.1.1;
7.1.1.8;
7.1.1.9;
Other elements in 7rh7:
The structure of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound 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, Telacebec (Q203) Bound
(pdb code 7rh7). 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, Telacebec (Q203) Bound, PDB code: 7rh7:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 1 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_01.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Fe602
b:40.3
occ:1.00
|
FE
|
R:HEA602
|
0.0
|
40.3
|
1.0
|
ND
|
R:HEA602
|
2.0
|
40.3
|
1.0
|
NB
|
R:HEA602
|
2.0
|
40.3
|
1.0
|
NC
|
R:HEA602
|
2.0
|
40.3
|
1.0
|
NA
|
R:HEA602
|
2.0
|
40.3
|
1.0
|
NE2
|
R:HIS399
|
2.1
|
37.6
|
1.0
|
NE2
|
R:HIS86
|
2.5
|
35.8
|
1.0
|
CE1
|
R:HIS399
|
3.0
|
37.6
|
1.0
|
C1B
|
R:HEA602
|
3.0
|
40.3
|
1.0
|
C4D
|
R:HEA602
|
3.0
|
40.3
|
1.0
|
C1A
|
R:HEA602
|
3.0
|
40.3
|
1.0
|
C1C
|
R:HEA602
|
3.0
|
40.3
|
1.0
|
C4B
|
R:HEA602
|
3.0
|
40.3
|
1.0
|
C1D
|
R:HEA602
|
3.0
|
40.3
|
1.0
|
C4C
|
R:HEA602
|
3.0
|
40.3
|
1.0
|
C4A
|
R:HEA602
|
3.1
|
40.3
|
1.0
|
HE1
|
R:HIS399
|
3.1
|
37.6
|
1.0
|
CD2
|
R:HIS86
|
3.1
|
35.8
|
1.0
|
HD2
|
R:HIS86
|
3.1
|
35.8
|
1.0
|
CD2
|
R:HIS399
|
3.2
|
37.6
|
1.0
|
CHA
|
R:HEA602
|
3.4
|
40.3
|
1.0
|
CHC
|
R:HEA602
|
3.4
|
40.3
|
1.0
|
HD2
|
R:HIS399
|
3.4
|
37.6
|
1.0
|
CHB
|
R:HEA602
|
3.4
|
40.3
|
1.0
|
CHD
|
R:HEA602
|
3.4
|
40.3
|
1.0
|
CE1
|
R:HIS86
|
3.5
|
35.8
|
1.0
|
HZ
|
R:PHE446
|
3.7
|
38.2
|
1.0
|
HE1
|
R:HIS86
|
3.9
|
35.8
|
1.0
|
HB2
|
R:ALA59
|
3.9
|
37.8
|
1.0
|
ND1
|
R:HIS399
|
4.1
|
37.6
|
1.0
|
CG
|
R:HIS399
|
4.2
|
37.6
|
1.0
|
C2B
|
R:HEA602
|
4.3
|
40.3
|
1.0
|
CG
|
R:HIS86
|
4.3
|
35.8
|
1.0
|
C3B
|
R:HEA602
|
4.3
|
40.3
|
1.0
|
C2D
|
R:HEA602
|
4.3
|
40.3
|
1.0
|
C2C
|
R:HEA602
|
4.3
|
40.3
|
1.0
|
HE2
|
R:MET62
|
4.3
|
39.6
|
1.0
|
C3D
|
R:HEA602
|
4.3
|
40.3
|
1.0
|
C2A
|
R:HEA602
|
4.3
|
40.3
|
1.0
|
C3C
|
R:HEA602
|
4.3
|
40.3
|
1.0
|
C3A
|
R:HEA602
|
4.3
|
40.3
|
1.0
|
HE1
|
R:PHE398
|
4.4
|
38.5
|
1.0
|
ND1
|
R:HIS86
|
4.4
|
35.8
|
1.0
|
HHA
|
R:HEA602
|
4.4
|
40.3
|
1.0
|
HHC
|
R:HEA602
|
4.5
|
40.3
|
1.0
|
HHD
|
R:HEA602
|
4.5
|
40.3
|
1.0
|
HHB
|
R:HEA602
|
4.5
|
40.3
|
1.0
|
CZ
|
R:PHE446
|
4.5
|
38.2
|
1.0
|
HE1
|
R:PHE446
|
4.8
|
38.2
|
1.0
|
CB
|
R:ALA59
|
4.8
|
37.8
|
1.0
|
HG3
|
R:MET90
|
4.8
|
35.5
|
1.0
|
HD1
|
R:HIS399
|
4.9
|
37.6
|
1.0
|
HB1
|
R:ALA59
|
5.0
|
37.8
|
1.0
|
|
Iron binding site 2 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 2 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_02.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Fe603
b:44.0
occ:1.00
|
FE
|
R:HEA603
|
0.0
|
44.0
|
1.0
|
NA
|
R:HEA603
|
2.0
|
44.0
|
1.0
|
NC
|
R:HEA603
|
2.0
|
44.0
|
1.0
|
NB
|
R:HEA603
|
2.0
|
44.0
|
1.0
|
ND
|
R:HEA603
|
2.0
|
44.0
|
1.0
|
NE2
|
R:HIS397
|
2.7
|
39.7
|
1.0
|
C1A
|
R:HEA603
|
3.0
|
44.0
|
1.0
|
C4C
|
R:HEA603
|
3.0
|
44.0
|
1.0
|
C4A
|
R:HEA603
|
3.0
|
44.0
|
1.0
|
C1C
|
R:HEA603
|
3.0
|
44.0
|
1.0
|
C1D
|
R:HEA603
|
3.0
|
44.0
|
1.0
|
C4B
|
R:HEA603
|
3.0
|
44.0
|
1.0
|
C1B
|
R:HEA603
|
3.0
|
44.0
|
1.0
|
C4D
|
R:HEA603
|
3.0
|
44.0
|
1.0
|
CHC
|
R:HEA603
|
3.4
|
44.0
|
1.0
|
CHA
|
R:HEA603
|
3.4
|
44.0
|
1.0
|
CHD
|
R:HEA603
|
3.4
|
44.0
|
1.0
|
CHB
|
R:HEA603
|
3.4
|
44.0
|
1.0
|
CE1
|
R:HIS397
|
3.5
|
39.7
|
1.0
|
HE1
|
R:HIS397
|
3.6
|
39.7
|
1.0
|
CD2
|
R:HIS397
|
3.7
|
39.7
|
1.0
|
HE1
|
R:HIS313
|
3.8
|
41.8
|
1.0
|
HE1
|
R:HIS314
|
3.8
|
40.4
|
1.0
|
HD2
|
R:HIS397
|
3.9
|
39.7
|
1.0
|
CU
|
R:CU601
|
4.1
|
69.2
|
1.0
|
C3A
|
R:HEA603
|
4.3
|
44.0
|
1.0
|
C3C
|
R:HEA603
|
4.3
|
44.0
|
1.0
|
C2D
|
R:HEA603
|
4.3
|
44.0
|
1.0
|
C2B
|
R:HEA603
|
4.3
|
44.0
|
1.0
|
C3B
|
R:HEA603
|
4.3
|
44.0
|
1.0
|
C2C
|
R:HEA603
|
4.3
|
44.0
|
1.0
|
C2A
|
R:HEA603
|
4.3
|
44.0
|
1.0
|
HE1
|
R:HIS264
|
4.3
|
39.4
|
1.0
|
C3D
|
R:HEA603
|
4.3
|
44.0
|
1.0
|
HG22
|
R:VAL267
|
4.4
|
38.2
|
1.0
|
HG22
|
R:VAL401
|
4.4
|
38.7
|
1.0
|
HHC
|
R:HEA603
|
4.5
|
44.0
|
1.0
|
HHD
|
R:HEA603
|
4.5
|
44.0
|
1.0
|
HHB
|
R:HEA603
|
4.5
|
44.0
|
1.0
|
HHA
|
R:HEA603
|
4.5
|
44.0
|
1.0
|
CE1
|
R:HIS314
|
4.6
|
40.4
|
1.0
|
CE1
|
R:HIS313
|
4.6
|
41.8
|
1.0
|
HB3
|
R:PHE398
|
4.7
|
38.5
|
1.0
|
ND1
|
R:HIS397
|
4.7
|
39.7
|
1.0
|
CG
|
R:HIS397
|
4.9
|
39.7
|
1.0
|
|
Iron binding site 3 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 3 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_03.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Fe301
b:53.9
occ:1.00
|
FE
|
O:HEC301
|
0.0
|
53.9
|
1.0
|
NC
|
O:HEC301
|
2.0
|
53.9
|
1.0
|
NA
|
O:HEC301
|
2.1
|
53.9
|
1.0
|
NB
|
O:HEC301
|
2.1
|
53.9
|
1.0
|
ND
|
O:HEC301
|
2.1
|
53.9
|
1.0
|
NE2
|
O:HIS91
|
2.1
|
55.0
|
1.0
|
SD
|
O:MET122
|
2.9
|
52.2
|
1.0
|
CD2
|
O:HIS91
|
3.0
|
55.0
|
1.0
|
C1A
|
O:HEC301
|
3.0
|
53.9
|
1.0
|
C4A
|
O:HEC301
|
3.1
|
53.9
|
1.0
|
C1D
|
O:HEC301
|
3.1
|
53.9
|
1.0
|
C4C
|
O:HEC301
|
3.1
|
53.9
|
1.0
|
C1C
|
O:HEC301
|
3.1
|
53.9
|
1.0
|
C4D
|
O:HEC301
|
3.1
|
53.9
|
1.0
|
C1B
|
O:HEC301
|
3.1
|
53.9
|
1.0
|
C4B
|
O:HEC301
|
3.1
|
53.9
|
1.0
|
HD2
|
O:HIS91
|
3.1
|
55.0
|
1.0
|
CE1
|
O:HIS91
|
3.1
|
55.0
|
1.0
|
HE1
|
O:HIS91
|
3.4
|
55.0
|
1.0
|
CHA
|
O:HEC301
|
3.4
|
53.9
|
1.0
|
CHD
|
O:HEC301
|
3.4
|
53.9
|
1.0
|
CHB
|
O:HEC301
|
3.4
|
53.9
|
1.0
|
CHC
|
O:HEC301
|
3.4
|
53.9
|
1.0
|
HB3
|
O:MET122
|
3.7
|
52.2
|
1.0
|
HD22
|
O:LEU105
|
3.8
|
57.4
|
1.0
|
CG
|
O:HIS91
|
4.1
|
55.0
|
1.0
|
ND1
|
O:HIS91
|
4.1
|
55.0
|
1.0
|
CG
|
O:MET122
|
4.2
|
52.2
|
1.0
|
HE1
|
O:MET122
|
4.2
|
52.2
|
1.0
|
C2A
|
O:HEC301
|
4.2
|
53.9
|
1.0
|
C3A
|
O:HEC301
|
4.2
|
53.9
|
1.0
|
CE
|
O:MET122
|
4.2
|
52.2
|
1.0
|
HA
|
O:MET122
|
4.3
|
52.2
|
1.0
|
C2C
|
O:HEC301
|
4.3
|
53.9
|
1.0
|
HG3
|
O:MET122
|
4.3
|
52.2
|
1.0
|
C3C
|
O:HEC301
|
4.3
|
53.9
|
1.0
|
HD11
|
O:LEU105
|
4.3
|
57.4
|
1.0
|
C2D
|
O:HEC301
|
4.3
|
53.9
|
1.0
|
CB
|
O:MET122
|
4.3
|
52.2
|
1.0
|
C3D
|
O:HEC301
|
4.3
|
53.9
|
1.0
|
C2B
|
O:HEC301
|
4.3
|
53.9
|
1.0
|
C3B
|
O:HEC301
|
4.3
|
53.9
|
1.0
|
HHA
|
O:HEC301
|
4.4
|
53.9
|
1.0
|
HHD
|
O:HEC301
|
4.4
|
53.9
|
1.0
|
HHB
|
O:HEC301
|
4.4
|
53.9
|
1.0
|
HD2
|
O:PRO103
|
4.4
|
54.1
|
1.0
|
HHC
|
O:HEC301
|
4.4
|
53.9
|
1.0
|
O
|
O:MET122
|
4.5
|
52.2
|
1.0
|
HE3
|
O:MET122
|
4.6
|
52.2
|
1.0
|
CD2
|
O:LEU105
|
4.7
|
57.4
|
1.0
|
CA
|
O:MET122
|
4.8
|
52.2
|
1.0
|
HD1
|
O:HIS91
|
4.9
|
55.0
|
1.0
|
HB2
|
O:CYS87
|
4.9
|
54.0
|
1.0
|
HD21
|
O:LEU105
|
5.0
|
57.4
|
1.0
|
HE2
|
O:MET122
|
5.0
|
52.2
|
1.0
|
HG2
|
O:MET122
|
5.0
|
52.2
|
1.0
|
|
Iron binding site 4 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 4 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_04.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Fe302
b:46.1
occ:1.00
|
FE
|
O:HEC302
|
0.0
|
46.1
|
1.0
|
NA
|
O:HEC302
|
2.1
|
46.1
|
1.0
|
ND
|
O:HEC302
|
2.1
|
46.1
|
1.0
|
NC
|
O:HEC302
|
2.1
|
46.1
|
1.0
|
NB
|
O:HEC302
|
2.1
|
46.1
|
1.0
|
NE2
|
O:HIS192
|
2.2
|
43.8
|
1.0
|
HE3
|
O:MET229
|
2.7
|
47.4
|
1.0
|
HD2
|
O:HIS192
|
2.8
|
43.8
|
1.0
|
CD2
|
O:HIS192
|
2.8
|
43.8
|
1.0
|
HE1
|
O:MET229
|
2.8
|
47.4
|
1.0
|
CE
|
O:MET229
|
3.0
|
47.4
|
1.0
|
C4B
|
O:HEC302
|
3.0
|
46.1
|
1.0
|
C1C
|
O:HEC302
|
3.1
|
46.1
|
1.0
|
C4D
|
O:HEC302
|
3.1
|
46.1
|
1.0
|
C1D
|
O:HEC302
|
3.1
|
46.1
|
1.0
|
C1B
|
O:HEC302
|
3.1
|
46.1
|
1.0
|
C1A
|
O:HEC302
|
3.1
|
46.1
|
1.0
|
C4A
|
O:HEC302
|
3.1
|
46.1
|
1.0
|
C4C
|
O:HEC302
|
3.1
|
46.1
|
1.0
|
SD
|
O:MET229
|
3.1
|
47.4
|
1.0
|
HG3
|
O:MET229
|
3.2
|
47.4
|
1.0
|
CE1
|
O:HIS192
|
3.3
|
43.8
|
1.0
|
CHC
|
O:HEC302
|
3.4
|
46.1
|
1.0
|
CHA
|
O:HEC302
|
3.4
|
46.1
|
1.0
|
CHD
|
O:HEC302
|
3.4
|
46.1
|
1.0
|
CHB
|
O:HEC302
|
3.4
|
46.1
|
1.0
|
HE1
|
O:HIS192
|
3.7
|
43.8
|
1.0
|
CG
|
O:MET229
|
3.7
|
47.4
|
1.0
|
HE2
|
O:MET229
|
3.9
|
47.4
|
1.0
|
CG
|
O:HIS192
|
4.0
|
43.8
|
1.0
|
C3B
|
O:HEC302
|
4.2
|
46.1
|
1.0
|
C2B
|
O:HEC302
|
4.3
|
46.1
|
1.0
|
ND1
|
O:HIS192
|
4.3
|
43.8
|
1.0
|
C2C
|
O:HEC302
|
4.3
|
46.1
|
1.0
|
HD22
|
O:LEU210
|
4.3
|
46.3
|
1.0
|
C2A
|
O:HEC302
|
4.3
|
46.1
|
1.0
|
C3A
|
O:HEC302
|
4.3
|
46.1
|
1.0
|
C3D
|
O:HEC302
|
4.3
|
46.1
|
1.0
|
C2D
|
O:HEC302
|
4.3
|
46.1
|
1.0
|
C3C
|
O:HEC302
|
4.3
|
46.1
|
1.0
|
HG2
|
O:MET229
|
4.4
|
47.4
|
1.0
|
HHD
|
O:HEC302
|
4.4
|
46.1
|
1.0
|
HHB
|
O:HEC302
|
4.4
|
46.1
|
1.0
|
HHA
|
O:HEC302
|
4.4
|
46.1
|
1.0
|
HHC
|
O:HEC302
|
4.4
|
46.1
|
1.0
|
HB2
|
O:MET229
|
4.4
|
47.4
|
1.0
|
CB
|
O:MET229
|
4.7
|
47.4
|
1.0
|
HB3
|
O:ALA207
|
4.8
|
42.6
|
1.0
|
SG
|
O:CYS188
|
5.0
|
45.5
|
1.0
|
|
Iron binding site 5 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 5 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_05.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe603
b:31.4
occ:1.00
|
FE
|
E:HEM603
|
0.0
|
31.4
|
1.0
|
NB
|
E:HEM603
|
2.0
|
31.4
|
1.0
|
NC
|
E:HEM603
|
2.0
|
31.4
|
1.0
|
NA
|
E:HEM603
|
2.0
|
31.4
|
1.0
|
ND
|
E:HEM603
|
2.0
|
31.4
|
1.0
|
NE2
|
E:HIS226
|
2.1
|
35.1
|
1.0
|
HD2
|
E:HIS123
|
2.4
|
33.2
|
1.0
|
NE2
|
E:HIS123
|
2.7
|
33.2
|
1.0
|
CD2
|
E:HIS123
|
2.8
|
33.2
|
1.0
|
CE1
|
E:HIS226
|
2.9
|
35.1
|
1.0
|
CD2
|
E:HIS226
|
2.9
|
35.1
|
1.0
|
C4B
|
E:HEM603
|
3.0
|
31.4
|
1.0
|
C1B
|
E:HEM603
|
3.0
|
31.4
|
1.0
|
C1C
|
E:HEM603
|
3.0
|
31.4
|
1.0
|
C4D
|
E:HEM603
|
3.0
|
31.4
|
1.0
|
C4A
|
E:HEM603
|
3.0
|
31.4
|
1.0
|
C1A
|
E:HEM603
|
3.1
|
31.4
|
1.0
|
C4C
|
E:HEM603
|
3.1
|
31.4
|
1.0
|
C1D
|
E:HEM603
|
3.1
|
31.4
|
1.0
|
HE1
|
E:HIS226
|
3.1
|
35.1
|
1.0
|
HD2
|
E:HIS226
|
3.2
|
35.1
|
1.0
|
CHC
|
E:HEM603
|
3.4
|
31.4
|
1.0
|
CHB
|
E:HEM603
|
3.4
|
31.4
|
1.0
|
CHA
|
E:HEM603
|
3.4
|
31.4
|
1.0
|
CHD
|
E:HEM603
|
3.4
|
31.4
|
1.0
|
ND1
|
E:HIS226
|
3.9
|
35.1
|
1.0
|
CG
|
E:HIS226
|
3.9
|
35.1
|
1.0
|
CE1
|
E:HIS123
|
4.0
|
33.2
|
1.0
|
CG
|
E:HIS123
|
4.2
|
33.2
|
1.0
|
C3B
|
E:HEM603
|
4.2
|
31.4
|
1.0
|
C2B
|
E:HEM603
|
4.2
|
31.4
|
1.0
|
C2C
|
E:HEM603
|
4.2
|
31.4
|
1.0
|
C3D
|
E:HEM603
|
4.2
|
31.4
|
1.0
|
C3A
|
E:HEM603
|
4.2
|
31.4
|
1.0
|
C2A
|
E:HEM603
|
4.3
|
31.4
|
1.0
|
C3C
|
E:HEM603
|
4.3
|
31.4
|
1.0
|
C2D
|
E:HEM603
|
4.3
|
31.4
|
1.0
|
HHB
|
E:HEM603
|
4.3
|
31.4
|
1.0
|
HHD
|
E:HEM603
|
4.3
|
31.4
|
1.0
|
HHC
|
E:HEM603
|
4.4
|
31.4
|
1.0
|
HHA
|
E:HEM603
|
4.4
|
31.4
|
1.0
|
HE1
|
E:HIS123
|
4.5
|
33.2
|
1.0
|
HA3
|
E:GLY43
|
4.6
|
32.7
|
1.0
|
HD1
|
E:HIS226
|
4.6
|
35.1
|
1.0
|
ND1
|
E:HIS123
|
4.7
|
33.2
|
1.0
|
HA3
|
E:GLY144
|
4.8
|
32.9
|
1.0
|
HD13
|
E:ILE127
|
4.8
|
33.7
|
1.0
|
HG21
|
E:ILE127
|
4.8
|
33.7
|
1.0
|
HD12
|
E:LEU147
|
4.9
|
33.9
|
1.0
|
|
Iron binding site 6 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 6 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_06.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe604
b:29.9
occ:1.00
|
FE
|
E:HEM604
|
0.0
|
29.9
|
1.0
|
NE2
|
E:HIS211
|
1.9
|
32.4
|
1.0
|
NC
|
E:HEM604
|
2.0
|
29.9
|
1.0
|
NA
|
E:HEM604
|
2.0
|
29.9
|
1.0
|
NB
|
E:HEM604
|
2.1
|
29.9
|
1.0
|
ND
|
E:HEM604
|
2.1
|
29.9
|
1.0
|
NE2
|
E:HIS109
|
2.5
|
32.2
|
1.0
|
CE1
|
E:HIS211
|
2.7
|
32.4
|
1.0
|
HE1
|
E:HIS211
|
2.8
|
32.4
|
1.0
|
CD2
|
E:HIS211
|
3.0
|
32.4
|
1.0
|
C4A
|
E:HEM604
|
3.0
|
29.9
|
1.0
|
C4C
|
E:HEM604
|
3.0
|
29.9
|
1.0
|
C1B
|
E:HEM604
|
3.1
|
29.9
|
1.0
|
C1C
|
E:HEM604
|
3.1
|
29.9
|
1.0
|
C1A
|
E:HEM604
|
3.1
|
29.9
|
1.0
|
C1D
|
E:HEM604
|
3.1
|
29.9
|
1.0
|
C4D
|
E:HEM604
|
3.1
|
29.9
|
1.0
|
C4B
|
E:HEM604
|
3.1
|
29.9
|
1.0
|
HD2
|
E:HIS211
|
3.3
|
32.4
|
1.0
|
CHB
|
E:HEM604
|
3.4
|
29.9
|
1.0
|
CE1
|
E:HIS109
|
3.4
|
32.2
|
1.0
|
CHD
|
E:HEM604
|
3.4
|
29.9
|
1.0
|
CHA
|
E:HEM604
|
3.4
|
29.9
|
1.0
|
CHC
|
E:HEM604
|
3.4
|
29.9
|
1.0
|
HE1
|
E:HIS109
|
3.5
|
32.2
|
1.0
|
CD2
|
E:HIS109
|
3.5
|
32.2
|
1.0
|
HD2
|
E:HIS109
|
3.7
|
32.2
|
1.0
|
ND1
|
E:HIS211
|
3.9
|
32.4
|
1.0
|
HA3
|
E:GLY158
|
4.0
|
31.5
|
1.0
|
CG
|
E:HIS211
|
4.0
|
32.4
|
1.0
|
C3A
|
E:HEM604
|
4.3
|
29.9
|
1.0
|
C3C
|
E:HEM604
|
4.3
|
29.9
|
1.0
|
C2A
|
E:HEM604
|
4.3
|
29.9
|
1.0
|
C2C
|
E:HEM604
|
4.3
|
29.9
|
1.0
|
C2B
|
E:HEM604
|
4.3
|
29.9
|
1.0
|
C2D
|
E:HEM604
|
4.3
|
29.9
|
1.0
|
C3D
|
E:HEM604
|
4.3
|
29.9
|
1.0
|
HD22
|
E:LEU53
|
4.3
|
32.9
|
1.0
|
C3B
|
E:HEM604
|
4.3
|
29.9
|
1.0
|
HA2
|
E:GLY158
|
4.3
|
31.5
|
1.0
|
HHB
|
E:HEM604
|
4.4
|
29.9
|
1.0
|
HHD
|
E:HEM604
|
4.4
|
29.9
|
1.0
|
HHC
|
E:HEM604
|
4.4
|
29.9
|
1.0
|
HHA
|
E:HEM604
|
4.4
|
29.9
|
1.0
|
ND1
|
E:HIS109
|
4.6
|
32.2
|
1.0
|
HD1
|
E:HIS211
|
4.6
|
32.4
|
1.0
|
CA
|
E:GLY158
|
4.7
|
31.5
|
1.0
|
CG
|
E:HIS109
|
4.7
|
32.2
|
1.0
|
O
|
E:HIS211
|
4.8
|
32.4
|
1.0
|
HA2
|
E:GLY57
|
4.9
|
32.1
|
1.0
|
HD12
|
E:LEU60
|
4.9
|
32.6
|
1.0
|
HA3
|
E:GLY57
|
5.0
|
32.1
|
1.0
|
|
Iron binding site 7 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 7 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_07.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_07_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Fe601
b:43.2
occ:1.00
|
FE
|
L:HEA601
|
0.0
|
43.2
|
1.0
|
NA
|
L:HEA601
|
2.0
|
43.2
|
1.0
|
NC
|
L:HEA601
|
2.0
|
43.2
|
1.0
|
ND
|
L:HEA601
|
2.0
|
43.2
|
1.0
|
NB
|
L:HEA601
|
2.0
|
43.2
|
1.0
|
NE2
|
L:HIS397
|
2.7
|
38.9
|
1.0
|
C1A
|
L:HEA601
|
3.0
|
43.2
|
1.0
|
C1C
|
L:HEA601
|
3.0
|
43.2
|
1.0
|
C4A
|
L:HEA601
|
3.0
|
43.2
|
1.0
|
C4B
|
L:HEA601
|
3.0
|
43.2
|
1.0
|
C1D
|
L:HEA601
|
3.0
|
43.2
|
1.0
|
C4C
|
L:HEA601
|
3.0
|
43.2
|
1.0
|
C4D
|
L:HEA601
|
3.0
|
43.2
|
1.0
|
C1B
|
L:HEA601
|
3.0
|
43.2
|
1.0
|
CHC
|
L:HEA601
|
3.4
|
43.2
|
1.0
|
CHA
|
L:HEA601
|
3.4
|
43.2
|
1.0
|
CHB
|
L:HEA601
|
3.4
|
43.2
|
1.0
|
CHD
|
L:HEA601
|
3.4
|
43.2
|
1.0
|
HE1
|
L:HIS397
|
3.5
|
38.9
|
1.0
|
CE1
|
L:HIS397
|
3.5
|
38.9
|
1.0
|
CD2
|
L:HIS397
|
3.8
|
38.9
|
1.0
|
HE1
|
L:HIS313
|
3.9
|
41.0
|
1.0
|
HD2
|
L:HIS397
|
4.0
|
38.9
|
1.0
|
HE1
|
L:HIS314
|
4.1
|
40.2
|
1.0
|
HG21
|
L:VAL267
|
4.2
|
38.1
|
1.0
|
C3A
|
L:HEA601
|
4.3
|
43.2
|
1.0
|
C2D
|
L:HEA601
|
4.3
|
43.2
|
1.0
|
C3C
|
L:HEA601
|
4.3
|
43.2
|
1.0
|
C2C
|
L:HEA601
|
4.3
|
43.2
|
1.0
|
C3B
|
L:HEA601
|
4.3
|
43.2
|
1.0
|
C2A
|
L:HEA601
|
4.3
|
43.2
|
1.0
|
C2B
|
L:HEA601
|
4.3
|
43.2
|
1.0
|
C3D
|
L:HEA601
|
4.3
|
43.2
|
1.0
|
HHC
|
L:HEA601
|
4.5
|
43.2
|
1.0
|
HHA
|
L:HEA601
|
4.5
|
43.2
|
1.0
|
HHB
|
L:HEA601
|
4.5
|
43.2
|
1.0
|
HHD
|
L:HEA601
|
4.5
|
43.2
|
1.0
|
HB3
|
L:PHE398
|
4.6
|
37.6
|
1.0
|
CE1
|
L:HIS313
|
4.6
|
41.0
|
1.0
|
HE1
|
L:HIS264
|
4.6
|
39.6
|
1.0
|
ND1
|
L:HIS397
|
4.7
|
38.9
|
1.0
|
HG23
|
L:VAL401
|
4.8
|
38.3
|
1.0
|
CE1
|
L:HIS314
|
4.8
|
40.2
|
1.0
|
CG
|
L:HIS397
|
4.9
|
38.9
|
1.0
|
CU
|
L:CU602
|
5.0
|
67.3
|
1.0
|
HA
|
L:PHE398
|
5.0
|
37.6
|
1.0
|
|
Iron binding site 8 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 8 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_08.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_08_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Fe603
b:38.6
occ:1.00
|
FE
|
L:HEA603
|
0.0
|
38.6
|
1.0
|
NE2
|
L:HIS399
|
1.9
|
37.0
|
1.0
|
NA
|
L:HEA603
|
2.0
|
38.6
|
1.0
|
NC
|
L:HEA603
|
2.0
|
38.6
|
1.0
|
ND
|
L:HEA603
|
2.0
|
38.6
|
1.0
|
NB
|
L:HEA603
|
2.0
|
38.6
|
1.0
|
NE2
|
L:HIS86
|
2.6
|
35.5
|
1.0
|
CE1
|
L:HIS399
|
2.7
|
37.0
|
1.0
|
HE1
|
L:HIS399
|
2.8
|
37.0
|
1.0
|
HD2
|
L:HIS86
|
3.0
|
35.5
|
1.0
|
C1A
|
L:HEA603
|
3.0
|
38.6
|
1.0
|
C1B
|
L:HEA603
|
3.0
|
38.6
|
1.0
|
C4C
|
L:HEA603
|
3.0
|
38.6
|
1.0
|
C1D
|
L:HEA603
|
3.0
|
38.6
|
1.0
|
C4D
|
L:HEA603
|
3.0
|
38.6
|
1.0
|
C1C
|
L:HEA603
|
3.0
|
38.6
|
1.0
|
C4A
|
L:HEA603
|
3.0
|
38.6
|
1.0
|
C4B
|
L:HEA603
|
3.0
|
38.6
|
1.0
|
CD2
|
L:HIS399
|
3.0
|
37.0
|
1.0
|
CD2
|
L:HIS86
|
3.1
|
35.5
|
1.0
|
HD2
|
L:HIS399
|
3.3
|
37.0
|
1.0
|
CHC
|
L:HEA603
|
3.4
|
38.6
|
1.0
|
CHD
|
L:HEA603
|
3.4
|
38.6
|
1.0
|
CHA
|
L:HEA603
|
3.4
|
38.6
|
1.0
|
CHB
|
L:HEA603
|
3.4
|
38.6
|
1.0
|
HZ
|
L:PHE446
|
3.8
|
37.3
|
1.0
|
CE1
|
L:HIS86
|
3.8
|
35.5
|
1.0
|
ND1
|
L:HIS399
|
3.9
|
37.0
|
1.0
|
CG
|
L:HIS399
|
4.0
|
37.0
|
1.0
|
HE1
|
L:HIS86
|
4.1
|
35.5
|
1.0
|
HE1
|
L:PHE398
|
4.2
|
37.6
|
1.0
|
C3A
|
L:HEA603
|
4.3
|
38.6
|
1.0
|
C2B
|
L:HEA603
|
4.3
|
38.6
|
1.0
|
C3C
|
L:HEA603
|
4.3
|
38.6
|
1.0
|
C2D
|
L:HEA603
|
4.3
|
38.6
|
1.0
|
C2C
|
L:HEA603
|
4.3
|
38.6
|
1.0
|
C2A
|
L:HEA603
|
4.3
|
38.6
|
1.0
|
C3B
|
L:HEA603
|
4.3
|
38.6
|
1.0
|
C3D
|
L:HEA603
|
4.3
|
38.6
|
1.0
|
CG
|
L:HIS86
|
4.4
|
35.5
|
1.0
|
HHC
|
L:HEA603
|
4.5
|
38.6
|
1.0
|
HHD
|
L:HEA603
|
4.5
|
38.6
|
1.0
|
HHA
|
L:HEA603
|
4.5
|
38.6
|
1.0
|
HHB
|
L:HEA603
|
4.5
|
38.6
|
1.0
|
CZ
|
L:PHE446
|
4.6
|
37.3
|
1.0
|
HD1
|
L:HIS399
|
4.6
|
37.0
|
1.0
|
HE1
|
L:MET62
|
4.6
|
39.4
|
1.0
|
ND1
|
L:HIS86
|
4.7
|
35.5
|
1.0
|
HB2
|
L:ALA59
|
4.8
|
37.4
|
1.0
|
HE1
|
L:PHE446
|
4.8
|
37.3
|
1.0
|
HB3
|
L:ALA59
|
4.8
|
37.4
|
1.0
|
HG3
|
L:MET90
|
4.9
|
35.4
|
1.0
|
HG23
|
L:ILE395
|
5.0
|
37.7
|
1.0
|
|
Iron binding site 9 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 9 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_09.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_09_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe301
b:54.1
occ:1.00
|
FE
|
I:HEC301
|
0.0
|
54.1
|
1.0
|
NE2
|
I:HIS91
|
1.9
|
54.6
|
1.0
|
NC
|
I:HEC301
|
2.1
|
54.1
|
1.0
|
NB
|
I:HEC301
|
2.1
|
54.1
|
1.0
|
NA
|
I:HEC301
|
2.1
|
54.1
|
1.0
|
ND
|
I:HEC301
|
2.1
|
54.1
|
1.0
|
HE1
|
I:MET122
|
2.2
|
52.3
|
1.0
|
HE3
|
I:MET122
|
2.5
|
52.3
|
1.0
|
CE
|
I:MET122
|
2.7
|
52.3
|
1.0
|
CD2
|
I:HIS91
|
2.8
|
54.6
|
1.0
|
CE1
|
I:HIS91
|
2.9
|
54.6
|
1.0
|
HD2
|
I:HIS91
|
3.0
|
54.6
|
1.0
|
C4A
|
I:HEC301
|
3.1
|
54.1
|
1.0
|
C1A
|
I:HEC301
|
3.1
|
54.1
|
1.0
|
C1D
|
I:HEC301
|
3.1
|
54.1
|
1.0
|
C4C
|
I:HEC301
|
3.1
|
54.1
|
1.0
|
C1B
|
I:HEC301
|
3.1
|
54.1
|
1.0
|
C4D
|
I:HEC301
|
3.1
|
54.1
|
1.0
|
C1C
|
I:HEC301
|
3.1
|
54.1
|
1.0
|
C4B
|
I:HEC301
|
3.1
|
54.1
|
1.0
|
HE1
|
I:HIS91
|
3.1
|
54.6
|
1.0
|
HE2
|
I:MET122
|
3.4
|
52.3
|
1.0
|
CHD
|
I:HEC301
|
3.4
|
54.1
|
1.0
|
CHB
|
I:HEC301
|
3.4
|
54.1
|
1.0
|
CHA
|
I:HEC301
|
3.4
|
54.1
|
1.0
|
HD12
|
I:LEU105
|
3.5
|
57.5
|
1.0
|
CHC
|
I:HEC301
|
3.5
|
54.1
|
1.0
|
HG3
|
I:MET122
|
3.5
|
52.3
|
1.0
|
HG2
|
I:MET122
|
3.8
|
52.3
|
1.0
|
CG
|
I:MET122
|
3.9
|
52.3
|
1.0
|
CG
|
I:HIS91
|
3.9
|
54.6
|
1.0
|
ND1
|
I:HIS91
|
3.9
|
54.6
|
1.0
|
SD
|
I:MET122
|
4.0
|
52.3
|
1.0
|
C3A
|
I:HEC301
|
4.2
|
54.1
|
1.0
|
C2A
|
I:HEC301
|
4.2
|
54.1
|
1.0
|
C2D
|
I:HEC301
|
4.3
|
54.1
|
1.0
|
C3D
|
I:HEC301
|
4.3
|
54.1
|
1.0
|
C2C
|
I:HEC301
|
4.3
|
54.1
|
1.0
|
C2B
|
I:HEC301
|
4.3
|
54.1
|
1.0
|
C3C
|
I:HEC301
|
4.3
|
54.1
|
1.0
|
HHD
|
I:HEC301
|
4.3
|
54.1
|
1.0
|
C3B
|
I:HEC301
|
4.3
|
54.1
|
1.0
|
HHA
|
I:HEC301
|
4.4
|
54.1
|
1.0
|
HHB
|
I:HEC301
|
4.4
|
54.1
|
1.0
|
CD1
|
I:LEU105
|
4.4
|
57.5
|
1.0
|
HHC
|
I:HEC301
|
4.5
|
54.1
|
1.0
|
HD2
|
I:PRO103
|
4.5
|
54.3
|
1.0
|
HD21
|
I:LEU105
|
4.6
|
57.5
|
1.0
|
HB2
|
I:CYS87
|
4.7
|
53.0
|
1.0
|
HD11
|
I:LEU105
|
4.7
|
57.5
|
1.0
|
HD1
|
I:HIS91
|
4.7
|
54.6
|
1.0
|
HD13
|
I:LEU105
|
4.8
|
57.5
|
1.0
|
O
|
I:MET122
|
4.9
|
52.3
|
1.0
|
HB2
|
I:CYS90
|
5.0
|
52.2
|
1.0
|
|
Iron binding site 10 out
of 16 in 7rh7
Go back to
Iron Binding Sites List in 7rh7
Iron binding site 10 out
of 16 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_10.jpg) Mono view
![](/pictures/FE/pdb/rh/7rh7-FE-sphere_10_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe302
b:45.7
occ:1.00
|
FE
|
I:HEC302
|
0.0
|
45.7
|
1.0
|
NC
|
I:HEC302
|
2.1
|
45.7
|
1.0
|
NB
|
I:HEC302
|
2.1
|
45.7
|
1.0
|
ND
|
I:HEC302
|
2.1
|
45.7
|
1.0
|
NA
|
I:HEC302
|
2.1
|
45.7
|
1.0
|
NE2
|
I:HIS192
|
2.1
|
43.0
|
1.0
|
HE1
|
I:MET229
|
2.2
|
47.1
|
1.0
|
HD2
|
I:HIS192
|
2.7
|
43.0
|
1.0
|
CD2
|
I:HIS192
|
2.7
|
43.0
|
1.0
|
CE
|
I:MET229
|
2.9
|
47.1
|
1.0
|
C1D
|
I:HEC302
|
3.0
|
45.7
|
1.0
|
C1C
|
I:HEC302
|
3.1
|
45.7
|
1.0
|
C4D
|
I:HEC302
|
3.1
|
45.7
|
1.0
|
HE2
|
I:MET229
|
3.1
|
47.1
|
1.0
|
C4B
|
I:HEC302
|
3.1
|
45.7
|
1.0
|
C1B
|
I:HEC302
|
3.1
|
45.7
|
1.0
|
C4A
|
I:HEC302
|
3.1
|
45.7
|
1.0
|
C1A
|
I:HEC302
|
3.1
|
45.7
|
1.0
|
C4C
|
I:HEC302
|
3.1
|
45.7
|
1.0
|
CE1
|
I:HIS192
|
3.3
|
43.0
|
1.0
|
CHD
|
I:HEC302
|
3.4
|
45.7
|
1.0
|
CHB
|
I:HEC302
|
3.4
|
45.7
|
1.0
|
CHC
|
I:HEC302
|
3.4
|
45.7
|
1.0
|
SD
|
I:MET229
|
3.4
|
47.1
|
1.0
|
CHA
|
I:HEC302
|
3.4
|
45.7
|
1.0
|
HE1
|
I:HIS192
|
3.7
|
43.0
|
1.0
|
HE3
|
I:MET229
|
3.8
|
47.1
|
1.0
|
CG
|
I:HIS192
|
4.0
|
43.0
|
1.0
|
ND1
|
I:HIS192
|
4.2
|
43.0
|
1.0
|
C2D
|
I:HEC302
|
4.3
|
45.7
|
1.0
|
C2C
|
I:HEC302
|
4.3
|
45.7
|
1.0
|
C3D
|
I:HEC302
|
4.3
|
45.7
|
1.0
|
HB3
|
I:ALA207
|
4.3
|
42.0
|
1.0
|
C2B
|
I:HEC302
|
4.3
|
45.7
|
1.0
|
C3B
|
I:HEC302
|
4.3
|
45.7
|
1.0
|
C3A
|
I:HEC302
|
4.3
|
45.7
|
1.0
|
HHD
|
I:HEC302
|
4.3
|
45.7
|
1.0
|
C2A
|
I:HEC302
|
4.3
|
45.7
|
1.0
|
C3C
|
I:HEC302
|
4.3
|
45.7
|
1.0
|
HHB
|
I:HEC302
|
4.4
|
45.7
|
1.0
|
HHC
|
I:HEC302
|
4.4
|
45.7
|
1.0
|
HHA
|
I:HEC302
|
4.4
|
45.7
|
1.0
|
HD11
|
I:LEU210
|
4.5
|
46.5
|
1.0
|
HB3
|
I:CYS191
|
4.8
|
41.6
|
1.0
|
SG
|
I:CYS188
|
4.8
|
44.3
|
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: Thu Aug 8 23:42:17 2024
|