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
Go back to
Iron Binding Sites List in 8hcr
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
Go back to
Iron Binding Sites List in 8hcr
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
Go back to
Iron Binding Sites List in 8hcr
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
Go back to
Iron Binding Sites List in 8hcr
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
Go back to
Iron Binding Sites List in 8hcr
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
Go back to
Iron Binding Sites List in 8hcr
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
Go back to
Iron Binding Sites List in 8hcr
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
Go back to
Iron Binding Sites List in 8hcr
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
Go back to
Iron Binding Sites List in 8hcr
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
Go back to
Iron Binding Sites List in 8hcr
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: Sat Aug 10 05:19:55 2024
|