Iron in PDB 8hcr: Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci

Enzymatic activity of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci

All present enzymatic activity of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci:
7.1.1.8; 7.1.1.9;

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci (pdb code 8hcr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci, PDB code: 8hcr:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in 8hcr

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Iron binding site 1 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:97.1
occ:1.00
 FE1 A:FES501 0.0 97.1 1.0
ND1 A:HIS375 2.1 89.6 1.0
ND1 A:HIS355 2.1 92.2 1.0
S2 A:FES501 2.2 97.1 1.0
S1 A:FES501 2.2 97.1 1.0
CE1 A:HIS375 2.6 89.6 1.0
FE2 A:FES501 2.7 97.1 1.0
CE1 A:HIS355 3.1 92.2 1.0
CG A:HIS355 3.1 92.2 1.0
CG A:HIS375 3.4 89.6 1.0
CB A:HIS355 3.5 92.2 1.0
N A:LEU356 3.6 97.9 1.0
CB A:LEU356 3.8 97.9 1.0
SG A:CYS372 3.8 85.4 1.0
NE2 A:HIS375 3.9 89.6 1.0
CG A:LEU356 4.0 97.9 1.0
CB A:HIS375 4.1 89.6 1.0
NE2 A:HIS355 4.2 92.2 1.0
CB A:CYS374 4.2 100.1 1.0
CD2 A:HIS355 4.2 92.2 1.0
CA A:LEU356 4.3 97.9 1.0
CD2 A:HIS375 4.3 89.6 1.0
C A:HIS355 4.3 92.2 1.0
CB A:CYS358 4.4 115.1 1.0
CA A:HIS355 4.5 92.2 1.0
N A:HIS375 4.5 89.6 1.0
CD1 A:LEU356 4.7 97.9 1.0
SG A:CYS358 4.8 115.1 1.0
SG A:CYS353 4.8 87.1 1.0
N A:CYS358 4.8 115.1 1.0
CA A:HIS375 4.9 89.6 1.0
N A:GLY357 5.0 102.5 1.0

Iron binding site 2 out of 16 in 8hcr

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Iron binding site 2 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:97.1
occ:1.00
 FE2 A:FES501 0.0 97.1 1.0
S1 A:FES501 2.2 97.1 1.0
S2 A:FES501 2.2 97.1 1.0
SG A:CYS372 2.3 85.4 1.0
SG A:CYS353 2.3 87.1 1.0
FE1 A:FES501 2.7 97.1 1.0
CB A:CYS353 2.9 87.1 1.0
CB A:CYS372 3.3 85.4 1.0
CB A:HIS355 3.4 92.2 1.0
ND1 A:HIS355 4.0 92.2 1.0
CG A:HIS355 4.0 92.2 1.0
N A:HIS355 4.3 92.2 1.0
O A:CYS358 4.3 115.1 1.0
CA A:CYS353 4.3 87.1 1.0
CA A:HIS355 4.4 92.2 1.0
N A:LEU356 4.4 97.9 1.0
CB A:SER377 4.5 85.8 1.0
ND1 A:HIS375 4.5 89.6 1.0
C A:CYS353 4.7 87.1 1.0
CB A:CYS358 4.7 115.1 1.0
CA A:CYS372 4.7 85.4 1.0
N A:CYS358 4.9 115.1 1.0
C A:HIS355 4.9 92.2 1.0

Iron binding site 3 out of 16 in 8hcr

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Iron binding site 3 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:113.1
occ:1.00
 FE B:HEM601 0.0 113.1 1.0
NB B:HEM601 2.0 113.1 1.0
ND B:HEM601 2.0 113.1 1.0
NA B:HEM601 2.1 113.1 1.0
NC B:HEM601 2.1 113.1 1.0
NE2 B:HIS231 2.1 73.4 1.0
NE2 B:HIS128 2.8 71.3 1.0
CD2 B:HIS231 2.8 73.4 1.0
C4C B:HEM601 3.0 113.1 1.0
C1C B:HEM601 3.0 113.1 1.0
C1D B:HEM601 3.0 113.1 1.0
C4B B:HEM601 3.1 113.1 1.0
C4D B:HEM601 3.1 113.1 1.0
C4A B:HEM601 3.1 113.1 1.0
C1B B:HEM601 3.1 113.1 1.0
C1A B:HEM601 3.1 113.1 1.0
CE1 B:HIS231 3.3 73.4 1.0
CHD B:HEM601 3.4 113.1 1.0
CHC B:HEM601 3.4 113.1 1.0
CHB B:HEM601 3.4 113.1 1.0
CHA B:HEM601 3.4 113.1 1.0
CD2 B:HIS128 3.5 71.3 1.0
CE1 B:HIS128 3.9 71.3 1.0
CG B:HIS231 4.1 73.4 1.0
C2C B:HEM601 4.2 113.1 1.0
C3C B:HEM601 4.2 113.1 1.0
C2D B:HEM601 4.3 113.1 1.0
C3D B:HEM601 4.3 113.1 1.0
ND1 B:HIS231 4.3 73.4 1.0
C3B B:HEM601 4.3 113.1 1.0
C3A B:HEM601 4.3 113.1 1.0
C2B B:HEM601 4.3 113.1 1.0
C2A B:HEM601 4.3 113.1 1.0
CG B:HIS128 4.7 71.3 1.0
ND1 B:HIS128 4.9 71.3 1.0

Iron binding site 4 out of 16 in 8hcr

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Iron binding site 4 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe602

b:113.1
occ:1.00
 FE B:HEM602 0.0 113.1 1.0
ND B:HEM602 1.9 113.1 1.0
NA B:HEM602 2.0 113.1 1.0
NC B:HEM602 2.1 113.1 1.0
NB B:HEM602 2.1 113.1 1.0
NE2 B:HIS216 2.3 73.5 1.0
NE2 B:HIS114 2.4 55.9 1.0
CE1 B:HIS216 2.5 73.5 1.0
CE1 B:HIS114 2.8 55.9 1.0
C4D B:HEM602 2.9 113.1 1.0
C1D B:HEM602 2.9 113.1 1.0
C1A B:HEM602 2.9 113.1 1.0
C4C B:HEM602 3.0 113.1 1.0
C4A B:HEM602 3.0 113.1 1.0
C1B B:HEM602 3.1 113.1 1.0
C4B B:HEM602 3.1 113.1 1.0
C1C B:HEM602 3.1 113.1 1.0
CHA B:HEM602 3.3 113.1 1.0
CHD B:HEM602 3.4 113.1 1.0
CHB B:HEM602 3.5 113.1 1.0
CHC B:HEM602 3.5 113.1 1.0
CD2 B:HIS114 3.6 55.9 1.0
CD2 B:HIS216 3.6 73.5 1.0
ND1 B:HIS216 3.8 73.5 1.0
ND1 B:HIS114 4.1 55.9 1.0
C3D B:HEM602 4.1 113.1 1.0
C2D B:HEM602 4.1 113.1 1.0
C2A B:HEM602 4.1 113.1 1.0
C3A B:HEM602 4.2 113.1 1.0
C3C B:HEM602 4.3 113.1 1.0
C2C B:HEM602 4.3 113.1 1.0
C2B B:HEM602 4.3 113.1 1.0
C3B B:HEM602 4.3 113.1 1.0
CG B:HIS216 4.4 73.5 1.0
CG B:HIS114 4.5 55.9 1.0
OE2 B:GLU159 4.8 105.7 1.0

Iron binding site 5 out of 16 in 8hcr

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Iron binding site 5 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe301

b:113.1
occ:1.00
 FE C:HEC301 0.0 113.1 1.0
NA C:HEC301 2.1 113.1 1.0
NC C:HEC301 2.1 113.1 1.0
NB C:HEC301 2.1 113.1 1.0
ND C:HEC301 2.1 113.1 1.0
C1D C:HEC301 3.0 113.1 1.0
C4D C:HEC301 3.0 113.1 1.0
C4C C:HEC301 3.1 113.1 1.0
C1A C:HEC301 3.1 113.1 1.0
C1B C:HEC301 3.1 113.1 1.0
C4A C:HEC301 3.1 113.1 1.0
C4B C:HEC301 3.1 113.1 1.0
C1C C:HEC301 3.1 113.1 1.0
CHD C:HEC301 3.4 113.1 1.0
CHA C:HEC301 3.4 113.1 1.0
CHB C:HEC301 3.5 113.1 1.0
CE1 C:HIS77 3.5 77.5 1.0
CHC C:HEC301 3.5 113.1 1.0
NE2 C:HIS77 4.0 77.5 1.0
C2D C:HEC301 4.1 113.1 1.0
C3D C:HEC301 4.1 113.1 1.0
C2B C:HEC301 4.3 113.1 1.0
C3B C:HEC301 4.3 113.1 1.0
C3A C:HEC301 4.3 113.1 1.0
C2A C:HEC301 4.3 113.1 1.0
C3C C:HEC301 4.3 113.1 1.0
C2C C:HEC301 4.3 113.1 1.0
ND1 C:HIS77 4.5 77.5 1.0

Iron binding site 6 out of 16 in 8hcr

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Iron binding site 6 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe302

b:113.1
occ:1.00
 FE C:HEC302 0.0 113.1 1.0
NC C:HEC302 2.1 113.1 1.0
NA C:HEC302 2.1 113.1 1.0
ND C:HEC302 2.1 113.1 1.0
NB C:HEC302 2.1 113.1 1.0
CE C:MET215 2.1 83.9 1.0
CE1 C:HIS178 2.2 90.1 1.0
NE2 C:HIS178 2.5 90.1 1.0
SD C:MET215 2.6 83.9 1.0
C4B C:HEC302 3.0 113.1 1.0
C1B C:HEC302 3.0 113.1 1.0
C4D C:HEC302 3.1 113.1 1.0
C1D C:HEC302 3.1 113.1 1.0
C1C C:HEC302 3.1 113.1 1.0
C1A C:HEC302 3.1 113.1 1.0
C4A C:HEC302 3.1 113.1 1.0
C4C C:HEC302 3.1 113.1 1.0
CHA C:HEC302 3.4 113.1 1.0
CHC C:HEC302 3.4 113.1 1.0
CG C:MET215 3.4 83.9 1.0
CHB C:HEC302 3.4 113.1 1.0
CHD C:HEC302 3.4 113.1 1.0
ND1 C:HIS178 3.5 90.1 1.0
CD2 C:HIS178 3.9 90.1 1.0
C3B C:HEC302 4.1 113.1 1.0
C2B C:HEC302 4.1 113.1 1.0
C3D C:HEC302 4.3 113.1 1.0
C2D C:HEC302 4.3 113.1 1.0
C2A C:HEC302 4.3 113.1 1.0
C2C C:HEC302 4.3 113.1 1.0
C3A C:HEC302 4.3 113.1 1.0
C3C C:HEC302 4.3 113.1 1.0
CG C:HIS178 4.4 90.1 1.0
CB C:MET215 4.5 83.9 1.0

Iron binding site 7 out of 16 in 8hcr

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Iron binding site 7 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe601

b:76.1
occ:1.00
 FE F:HEA601 0.0 76.1 1.0
NA F:HEA601 2.0 76.1 1.0
NC F:HEA601 2.1 76.1 1.0
ND F:HEA601 2.1 76.1 1.0
NB F:HEA601 2.1 76.1 1.0
NE2 F:HIS397 2.5 72.8 1.0
C4A F:HEA601 3.1 76.1 1.0
C4C F:HEA601 3.1 76.1 1.0
C1A F:HEA601 3.1 76.1 1.0
CD2 F:HIS397 3.1 72.8 1.0
C1C F:HEA601 3.1 76.1 1.0
C1D F:HEA601 3.1 76.1 1.0
C4D F:HEA601 3.1 76.1 1.0
C4B F:HEA601 3.1 76.1 1.0
C1B F:HEA601 3.1 76.1 1.0
CHD F:HEA601 3.5 76.1 1.0
CHC F:HEA601 3.5 76.1 1.0
CHB F:HEA601 3.5 76.1 1.0
CHA F:HEA601 3.5 76.1 1.0
CE1 F:HIS397 3.6 72.8 1.0
C3A F:HEA601 4.3 76.1 1.0
C2A F:HEA601 4.4 76.1 1.0
CG F:HIS397 4.4 72.8 1.0
C3C F:HEA601 4.4 76.1 1.0
C2C F:HEA601 4.4 76.1 1.0
C2D F:HEA601 4.4 76.1 1.0
C3D F:HEA601 4.4 76.1 1.0
C2B F:HEA601 4.5 76.1 1.0
C3B F:HEA601 4.5 76.1 1.0
ND1 F:HIS397 4.6 72.8 1.0
CE1 F:HIS264 4.6 91.9 1.0

Iron binding site 8 out of 16 in 8hcr

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Iron binding site 8 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe602

b:113.1
occ:1.00
 FE F:HEA602 0.0 113.1 1.0
NA F:HEA602 2.0 113.1 1.0
NC F:HEA602 2.1 113.1 1.0
ND F:HEA602 2.1 113.1 1.0
NB F:HEA602 2.1 113.1 1.0
NE2 F:HIS399 2.8 77.7 1.0
NE2 F:HIS86 2.8 93.2 1.0
C4A F:HEA602 3.1 113.1 1.0
C1A F:HEA602 3.1 113.1 1.0
C4C F:HEA602 3.1 113.1 1.0
C1C F:HEA602 3.1 113.1 1.0
C1D F:HEA602 3.1 113.1 1.0
C4D F:HEA602 3.1 113.1 1.0
C4B F:HEA602 3.1 113.1 1.0
C1B F:HEA602 3.1 113.1 1.0
CE1 F:HIS86 3.4 93.2 1.0
CHC F:HEA602 3.4 113.1 1.0
CHD F:HEA602 3.5 113.1 1.0
CHA F:HEA602 3.5 113.1 1.0
CHB F:HEA602 3.5 113.1 1.0
CD2 F:HIS399 3.6 77.7 1.0
CE1 F:HIS399 3.9 77.7 1.0
CD2 F:HIS86 4.0 93.2 1.0
C3A F:HEA602 4.3 113.1 1.0
C2A F:HEA602 4.4 113.1 1.0
C3C F:HEA602 4.4 113.1 1.0
C2C F:HEA602 4.4 113.1 1.0
C3D F:HEA602 4.4 113.1 1.0
C2D F:HEA602 4.4 113.1 1.0
C2B F:HEA602 4.5 113.1 1.0
C3B F:HEA602 4.5 113.1 1.0
ND1 F:HIS86 4.6 93.2 1.0
CB F:ALA59 4.8 124.2 1.0
CG F:HIS399 4.8 77.7 1.0
CG F:HIS86 4.9 93.2 1.0
ND1 F:HIS399 4.9 77.7 1.0

Iron binding site 9 out of 16 in 8hcr

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Iron binding site 9 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Fe501

b:81.0
occ:1.00
 FE1 M:FES501 0.0 81.0 1.0
S1 M:FES501 2.2 81.0 1.0
S2 M:FES501 2.2 81.0 1.0
SG M:CYS372 2.3 83.7 1.0
SG M:CYS353 2.3 88.1 1.0
FE2 M:FES501 2.7 81.0 1.0
CB M:CYS353 2.9 88.1 1.0
CB M:CYS372 3.0 83.7 1.0
CB M:HIS355 3.6 86.5 1.0
ND1 M:HIS355 4.3 86.5 1.0
CA M:CYS353 4.3 88.1 1.0
CG M:HIS355 4.3 86.5 1.0
O M:CYS358 4.4 105.1 1.0
CA M:CYS372 4.5 83.7 1.0
N M:HIS355 4.5 86.5 1.0
ND1 M:HIS375 4.5 85.3 1.0
CB M:SER377 4.6 78.4 1.0
CB M:CYS358 4.6 105.1 1.0
CA M:HIS355 4.6 86.5 1.0
N M:LEU356 4.7 87.9 1.0
C M:CYS353 4.8 88.1 1.0
N M:CYS358 4.9 105.1 1.0

Iron binding site 10 out of 16 in 8hcr

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Iron binding site 10 out of 16 in the Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Cryo-Em Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Fe501

b:81.0
occ:1.00
 FE2 M:FES501 0.0 81.0 1.0
ND1 M:HIS355 2.1 86.5 1.0
ND1 M:HIS375 2.1 85.3 1.0
S2 M:FES501 2.2 81.0 1.0
S1 M:FES501 2.2 81.0 1.0
FE1 M:FES501 2.7 81.0 1.0
CE1 M:HIS375 2.9 85.3 1.0
CG M:HIS355 2.9 86.5 1.0
CE1 M:HIS355 3.1 86.5 1.0
CG M:HIS375 3.2 85.3 1.0
CB M:HIS355 3.2 86.5 1.0
CB M:HIS375 3.6 85.3 1.0
N M:LEU356 3.9 87.9 1.0
CD2 M:HIS355 4.0 86.5 1.0
NE2 M:HIS355 4.0 86.5 1.0
NE2 M:HIS375 4.1 85.3 1.0
SG M:CYS372 4.1 83.7 1.0
CD2 M:HIS375 4.2 85.3 1.0
CB M:LEU356 4.3 87.9 1.0
CG M:LEU356 4.3 87.9 1.0
N M:HIS375 4.4 85.3 1.0
CB M:CYS374 4.4 93.2 1.0
CA M:HIS355 4.4 86.5 1.0
C M:HIS355 4.4 86.5 1.0
CD1 M:LEU356 4.5 87.9 1.0
CA M:HIS375 4.6 85.3 1.0
SG M:CYS353 4.6 88.1 1.0
CA M:LEU356 4.7 87.9 1.0
CB M:CYS372 4.9 83.7 1.0
CB M:CYS358 5.0 105.1 1.0

Reference:

V.Mathiyazakan, C.F.Wong, A.Harikishore, K.Pethe, G.Gruber. Cryo-Electron Microscopy Structure of the Mycobacterium Tuberculosis Cytochrome Bcc:AA3 Supercomplex and A Novel Inhibitor Targeting Subunit Cytochrome Ci To Be Published.
Page generated: Thu Jul 27 17:20:12 2023

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