Copper 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 Binding Sites:
The binding sites of Copper atom in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
(pdb code 7rh5). This binding sites where shown within
5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the
Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, PDB code: 7rh5:
Jump to Copper binding site number:
1;
2;
3;
4;
5;
6;
Copper binding site 1 out
of 6 in 7rh5
Go back to
Copper Binding Sites List in 7rh5
Copper binding site 1 out
of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 1 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Cu401
b:72.3
occ:1.00
|
SG
|
Q:CYS277
|
1.8
|
50.4
|
1.0
|
SG
|
Q:CYS273
|
1.8
|
51.6
|
1.0
|
CE1
|
Q:HIS281
|
2.0
|
50.6
|
1.0
|
ND1
|
Q:HIS281
|
2.0
|
50.6
|
1.0
|
CE
|
Q:MET284
|
2.9
|
51.8
|
1.0
|
CB
|
Q:CYS273
|
2.9
|
51.6
|
1.0
|
CB
|
Q:CYS277
|
3.3
|
50.4
|
1.0
|
NE2
|
Q:HIS281
|
3.3
|
50.6
|
1.0
|
CG
|
Q:HIS281
|
3.4
|
50.6
|
1.0
|
CB
|
Q:HIS232
|
3.7
|
51.5
|
1.0
|
SD
|
Q:MET284
|
3.9
|
51.8
|
1.0
|
CD2
|
Q:HIS281
|
4.0
|
50.6
|
1.0
|
C
|
Q:CYS273
|
4.0
|
51.6
|
1.0
|
CA
|
Q:CYS273
|
4.0
|
51.6
|
1.0
|
O
|
Q:CYS273
|
4.2
|
51.6
|
1.0
|
O
|
Q:HIS281
|
4.2
|
50.6
|
1.0
|
CG
|
Q:HIS232
|
4.2
|
51.5
|
1.0
|
N
|
Q:THR274
|
4.4
|
50.9
|
1.0
|
CB
|
Q:HIS281
|
4.4
|
50.6
|
1.0
|
N
|
Q:GLU275
|
4.4
|
50.2
|
1.0
|
CD2
|
Q:HIS232
|
4.4
|
51.5
|
1.0
|
O
|
Q:GLU275
|
4.4
|
50.2
|
1.0
|
CA
|
Q:CYS277
|
4.4
|
50.4
|
1.0
|
CU
|
Q:CU402
|
4.5
|
62.0
|
1.0
|
N
|
Q:CYS277
|
4.5
|
50.4
|
1.0
|
CA
|
Q:HIS281
|
4.5
|
50.6
|
1.0
|
CB
|
Q:MET284
|
4.6
|
51.8
|
1.0
|
C
|
Q:GLU275
|
4.7
|
50.2
|
1.0
|
C
|
Q:HIS281
|
4.8
|
50.6
|
1.0
|
N
|
Q:GLY233
|
4.8
|
51.3
|
1.0
|
CG
|
Q:MET284
|
4.9
|
51.8
|
1.0
|
CA
|
Q:GLU275
|
4.9
|
50.2
|
1.0
|
CA
|
Q:HIS232
|
4.9
|
51.5
|
1.0
|
CB
|
Q:GLU275
|
4.9
|
50.2
|
1.0
|
C
|
Q:MET276
|
5.0
|
48.1
|
1.0
|
|
Copper binding site 2 out
of 6 in 7rh5
Go back to
Copper Binding Sites List in 7rh5
Copper binding site 2 out
of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 2 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Cu402
b:62.0
occ:1.00
|
CE1
|
Q:HIS232
|
1.9
|
51.5
|
1.0
|
ND1
|
Q:HIS232
|
2.0
|
51.5
|
1.0
|
NE2
|
Q:HIS232
|
2.0
|
51.5
|
1.0
|
CG
|
Q:HIS232
|
2.2
|
51.5
|
1.0
|
CD2
|
Q:HIS232
|
2.2
|
51.5
|
1.0
|
CE
|
Q:MET284
|
3.2
|
51.8
|
1.0
|
O
|
Q:PHE136
|
3.3
|
53.2
|
1.0
|
CB
|
Q:HIS232
|
3.3
|
51.5
|
1.0
|
SD
|
Q:MET284
|
3.6
|
51.8
|
1.0
|
SG
|
Q:CYS277
|
3.7
|
50.4
|
1.0
|
CG1
|
Q:VAL230
|
4.1
|
49.9
|
1.0
|
O
|
Q:ALA135
|
4.1
|
52.3
|
1.0
|
C
|
Q:PHE136
|
4.2
|
53.2
|
1.0
|
CB
|
Q:CYS277
|
4.2
|
50.4
|
1.0
|
N
|
Q:TRP138
|
4.3
|
51.4
|
1.0
|
O
|
Q:VAL230
|
4.4
|
49.9
|
1.0
|
CU
|
Q:CU401
|
4.5
|
72.3
|
1.0
|
CA
|
Q:GLN137
|
4.6
|
51.4
|
1.0
|
C
|
Q:ALA135
|
4.6
|
52.3
|
1.0
|
SG
|
Q:CYS273
|
4.6
|
51.6
|
1.0
|
CA
|
Q:HIS232
|
4.7
|
51.5
|
1.0
|
O
|
Q:ILE231
|
4.7
|
50.0
|
1.0
|
CB
|
Q:ALA135
|
4.8
|
52.3
|
1.0
|
N
|
Q:GLN137
|
4.8
|
51.4
|
1.0
|
N
|
Q:HIS232
|
4.9
|
51.5
|
1.0
|
NE2
|
Q:GLN137
|
5.0
|
51.4
|
1.0
|
C
|
Q:GLN137
|
5.0
|
51.4
|
1.0
|
C
|
Q:ILE231
|
5.0
|
50.0
|
1.0
|
|
Copper binding site 3 out
of 6 in 7rh5
Go back to
Copper Binding Sites List in 7rh5
Copper binding site 3 out
of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 3 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Cu601
b:95.5
occ:1.00
|
CE1
|
R:HIS313
|
1.8
|
52.4
|
1.0
|
NE2
|
R:HIS314
|
2.0
|
51.2
|
1.0
|
ND1
|
R:HIS264
|
2.0
|
49.1
|
1.0
|
NE2
|
R:HIS313
|
2.0
|
52.4
|
1.0
|
CE1
|
R:HIS264
|
2.3
|
49.1
|
1.0
|
CE1
|
R:HIS314
|
2.5
|
51.2
|
1.0
|
ND1
|
R:HIS313
|
3.0
|
52.4
|
1.0
|
CD2
|
R:HIS314
|
3.0
|
51.2
|
1.0
|
CG
|
R:HIS264
|
3.2
|
49.1
|
1.0
|
CD2
|
R:HIS313
|
3.3
|
52.4
|
1.0
|
NE2
|
R:HIS264
|
3.5
|
49.1
|
1.0
|
ND1
|
R:HIS314
|
3.6
|
51.2
|
1.0
|
NA
|
R:HEA603
|
3.7
|
51.2
|
1.0
|
CG
|
R:HIS313
|
3.7
|
52.4
|
1.0
|
CG
|
R:HIS314
|
3.9
|
51.2
|
1.0
|
CD2
|
R:HIS264
|
4.0
|
49.1
|
1.0
|
C4A
|
R:HEA603
|
4.0
|
51.2
|
1.0
|
C1A
|
R:HEA603
|
4.0
|
51.2
|
1.0
|
CB
|
R:HIS264
|
4.0
|
49.1
|
1.0
|
FE
|
R:HEA603
|
4.1
|
51.2
|
1.0
|
CHB
|
R:HEA603
|
4.4
|
51.2
|
1.0
|
NB
|
R:HEA603
|
4.5
|
51.2
|
1.0
|
C3A
|
R:HEA603
|
4.5
|
51.2
|
1.0
|
CHA
|
R:HEA603
|
4.5
|
51.2
|
1.0
|
ND
|
R:HEA603
|
4.6
|
51.2
|
1.0
|
C2A
|
R:HEA603
|
4.6
|
51.2
|
1.0
|
C1B
|
R:HEA603
|
4.6
|
51.2
|
1.0
|
CA
|
R:HIS264
|
4.7
|
49.1
|
1.0
|
C4D
|
R:HEA603
|
4.7
|
51.2
|
1.0
|
O
|
R:VAL310
|
4.8
|
50.3
|
1.0
|
O
|
R:TRP311
|
4.9
|
49.3
|
1.0
|
CG2
|
R:VAL267
|
5.0
|
47.8
|
1.0
|
|
Copper binding site 4 out
of 6 in 7rh5
Go back to
Copper Binding Sites List in 7rh5
Copper binding site 4 out
of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 4 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Cu401
b:74.4
occ:1.00
|
SG
|
K:CYS273
|
1.8
|
55.0
|
1.0
|
SG
|
K:CYS277
|
1.8
|
55.5
|
1.0
|
ND1
|
K:HIS281
|
2.0
|
54.4
|
1.0
|
CE1
|
K:HIS281
|
2.2
|
54.4
|
1.0
|
CB
|
K:CYS273
|
3.0
|
55.0
|
1.0
|
CB
|
K:CYS277
|
3.1
|
55.5
|
1.0
|
SD
|
K:MET284
|
3.3
|
56.4
|
1.0
|
CG
|
K:HIS281
|
3.4
|
54.4
|
1.0
|
NE2
|
K:HIS281
|
3.5
|
54.4
|
1.0
|
CB
|
K:HIS232
|
3.5
|
56.0
|
1.0
|
N
|
K:CYS277
|
3.6
|
55.5
|
1.0
|
CA
|
K:CYS277
|
3.9
|
55.5
|
1.0
|
CE
|
K:MET284
|
4.0
|
56.4
|
1.0
|
CD2
|
K:HIS281
|
4.0
|
54.4
|
1.0
|
CA
|
K:CYS273
|
4.1
|
55.0
|
1.0
|
C
|
K:MET276
|
4.2
|
52.4
|
1.0
|
CU
|
K:CU402
|
4.2
|
83.4
|
1.0
|
CG
|
K:HIS232
|
4.2
|
56.0
|
1.0
|
O
|
K:HIS281
|
4.2
|
54.4
|
1.0
|
CB
|
K:HIS281
|
4.3
|
54.4
|
1.0
|
C
|
K:CYS273
|
4.3
|
55.0
|
1.0
|
O
|
K:GLU275
|
4.3
|
54.1
|
1.0
|
C
|
K:GLU275
|
4.4
|
54.1
|
1.0
|
CA
|
K:HIS281
|
4.4
|
54.4
|
1.0
|
N
|
K:GLU275
|
4.4
|
54.1
|
1.0
|
O
|
K:CYS273
|
4.5
|
55.0
|
1.0
|
CG
|
K:MET284
|
4.6
|
56.4
|
1.0
|
CD2
|
K:HIS232
|
4.6
|
56.0
|
1.0
|
N
|
K:THR274
|
4.7
|
54.1
|
1.0
|
CA
|
K:MET276
|
4.7
|
52.4
|
1.0
|
N
|
K:MET276
|
4.7
|
52.4
|
1.0
|
CB
|
K:GLU275
|
4.7
|
54.1
|
1.0
|
CB
|
K:MET284
|
4.7
|
56.4
|
1.0
|
O
|
K:MET276
|
4.8
|
52.4
|
1.0
|
CA
|
K:GLU275
|
4.8
|
54.1
|
1.0
|
CA
|
K:HIS232
|
4.8
|
56.0
|
1.0
|
C
|
K:HIS281
|
4.8
|
54.4
|
1.0
|
N
|
K:GLY233
|
4.9
|
55.6
|
1.0
|
ND1
|
K:HIS232
|
5.0
|
56.0
|
1.0
|
|
Copper binding site 5 out
of 6 in 7rh5
Go back to
Copper Binding Sites List in 7rh5
Copper binding site 5 out
of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 5 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Cu402
b:83.4
occ:1.00
|
CD2
|
K:HIS232
|
1.4
|
56.0
|
1.0
|
NE2
|
K:HIS232
|
1.9
|
56.0
|
1.0
|
CG
|
K:HIS232
|
2.3
|
56.0
|
1.0
|
SG
|
K:CYS277
|
2.6
|
55.5
|
1.0
|
CE1
|
K:HIS232
|
2.7
|
56.0
|
1.0
|
ND1
|
K:HIS232
|
2.9
|
56.0
|
1.0
|
CB
|
K:CYS277
|
3.1
|
55.5
|
1.0
|
CB
|
K:HIS232
|
3.3
|
56.0
|
1.0
|
CE
|
K:MET284
|
3.3
|
56.4
|
1.0
|
SD
|
K:MET284
|
3.4
|
56.4
|
1.0
|
O
|
K:PHE136
|
3.5
|
57.7
|
1.0
|
CG1
|
K:VAL230
|
3.8
|
55.0
|
1.0
|
CA
|
K:CYS277
|
3.8
|
55.5
|
1.0
|
CU
|
K:CU401
|
4.2
|
74.4
|
1.0
|
OE1
|
K:GLN137
|
4.2
|
56.7
|
1.0
|
O
|
K:ILE231
|
4.3
|
54.6
|
1.0
|
N
|
K:TRP138
|
4.3
|
56.2
|
1.0
|
C
|
K:PHE136
|
4.4
|
57.7
|
1.0
|
SG
|
K:CYS273
|
4.6
|
55.0
|
1.0
|
O
|
K:VAL230
|
4.6
|
55.0
|
1.0
|
CA
|
K:GLN137
|
4.6
|
56.7
|
1.0
|
CA
|
K:HIS232
|
4.6
|
56.0
|
1.0
|
O
|
K:CYS277
|
4.7
|
55.5
|
1.0
|
C
|
K:CYS277
|
4.8
|
55.5
|
1.0
|
C
|
K:ILE231
|
4.8
|
54.6
|
1.0
|
N
|
K:CYS277
|
4.8
|
55.5
|
1.0
|
N
|
K:HIS232
|
4.8
|
56.0
|
1.0
|
N
|
K:GLN137
|
4.9
|
56.7
|
1.0
|
O
|
K:ALA135
|
5.0
|
56.8
|
1.0
|
|
Copper binding site 6 out
of 6 in 7rh5
Go back to
Copper Binding Sites List in 7rh5
Copper binding site 6 out
of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 6 of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Cu601
b:84.9
occ:1.00
|
CE1
|
L:HIS313
|
1.8
|
55.5
|
1.0
|
NE2
|
L:HIS314
|
2.0
|
54.2
|
1.0
|
NE2
|
L:HIS313
|
2.0
|
55.5
|
1.0
|
CE1
|
L:HIS314
|
2.6
|
54.2
|
1.0
|
ND1
|
L:HIS264
|
2.8
|
51.6
|
1.0
|
ND1
|
L:HIS313
|
3.0
|
55.5
|
1.0
|
CD2
|
L:HIS314
|
3.0
|
54.2
|
1.0
|
CG
|
L:HIS264
|
3.1
|
51.6
|
1.0
|
CE1
|
L:HIS264
|
3.1
|
51.6
|
1.0
|
CD2
|
L:HIS313
|
3.2
|
55.5
|
1.0
|
CD2
|
L:HIS264
|
3.5
|
51.6
|
1.0
|
NE2
|
L:HIS264
|
3.6
|
51.6
|
1.0
|
CG
|
L:HIS313
|
3.7
|
55.5
|
1.0
|
ND1
|
L:HIS314
|
3.7
|
54.2
|
1.0
|
CB
|
L:HIS264
|
3.7
|
51.6
|
1.0
|
CG
|
L:HIS314
|
3.9
|
54.2
|
1.0
|
NA
|
L:HEA603
|
4.1
|
53.6
|
1.0
|
C1A
|
L:HEA603
|
4.3
|
53.6
|
1.0
|
FE
|
L:HEA603
|
4.4
|
53.6
|
1.0
|
C4A
|
L:HEA603
|
4.4
|
53.6
|
1.0
|
CA
|
L:HIS264
|
4.5
|
51.6
|
1.0
|
O
|
L:VAL310
|
4.6
|
53.9
|
1.0
|
CHA
|
L:HEA603
|
4.6
|
53.6
|
1.0
|
ND
|
L:HEA603
|
4.7
|
53.6
|
1.0
|
O
|
L:TRP311
|
4.8
|
53.2
|
1.0
|
C4D
|
L:HEA603
|
4.8
|
53.6
|
1.0
|
C2A
|
L:HEA603
|
4.8
|
53.6
|
1.0
|
C3A
|
L:HEA603
|
4.9
|
53.6
|
1.0
|
CHB
|
L:HEA603
|
5.0
|
53.6
|
1.0
|
NB
|
L:HEA603
|
5.0
|
53.6
|
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: Wed Jul 31 09:03:11 2024
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