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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:

Copper (Cu) 6 atoms

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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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.
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