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Copper 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 (Fe) 16 atoms
Fluorine (F) 6 atoms
Chlorine (Cl) 2 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound (pdb code 7rh7). 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, Telacebec (Q203) Bound, PDB code: 7rh7:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in 7rh7

Go back to Copper Binding Sites List in 7rh7
Copper binding site 1 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound


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, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Cu401

b:52.1
occ:1.00
HG Q:CYS277 1.6 42.0 1.0
HE1 Q:HIS281 1.6 42.5 1.0
HD1 Q:HIS281 1.7 42.5 1.0
SG Q:CYS277 1.7 42.0 1.0
SG Q:CYS273 1.9 42.2 1.0
CE1 Q:HIS281 1.9 42.5 1.0
ND1 Q:HIS281 2.0 42.5 1.0
HB3 Q:CYS273 2.7 42.2 1.0
CB Q:CYS273 2.9 42.2 1.0
HG Q:CYS273 2.9 42.2 1.0
HB2 Q:HIS232 3.0 42.7 1.0
NE2 Q:HIS281 3.2 42.5 1.0
CB Q:CYS277 3.3 42.0 1.0
HB2 Q:CYS277 3.4 42.0 1.0
CG Q:HIS281 3.4 42.5 1.0
HB2 Q:CYS273 3.4 42.2 1.0
SD Q:MET284 3.6 43.8 1.0
H Q:GLU275 3.6 41.0 1.0
HB3 Q:HIS232 3.7 42.7 1.0
CB Q:HIS232 3.7 42.7 1.0
HE3 Q:MET284 3.8 43.8 1.0
HE2 Q:HIS281 3.8 42.5 1.0
HB3 Q:MET284 3.8 43.8 1.0
HB3 Q:CYS277 3.9 42.0 1.0
H Q:GLY233 3.9 41.6 1.0
CD2 Q:HIS281 3.9 42.5 1.0
HA Q:HIS281 3.9 42.5 1.0
CA Q:CYS273 4.0 42.2 1.0
C Q:CYS273 4.0 42.2 1.0
CE Q:MET284 4.1 43.8 1.0
HB3 Q:GLU275 4.1 41.0 1.0
HE2 Q:MET284 4.1 43.8 1.0
H Q:CYS277 4.1 42.0 1.0
N Q:CYS277 4.2 42.0 1.0
O Q:HIS281 4.2 42.5 1.0
O Q:CYS273 4.3 42.2 1.0
CA Q:CYS277 4.3 42.0 1.0
HD2 Q:HIS232 4.3 42.7 1.0
O Q:GLU275 4.3 41.0 1.0
N Q:GLU275 4.4 41.0 1.0
CG Q:HIS232 4.4 42.7 1.0
CB Q:HIS281 4.4 42.5 1.0
HB2 Q:MET284 4.4 43.8 1.0
CB Q:MET284 4.4 43.8 1.0
HA Q:CYS273 4.5 42.2 1.0
N Q:THR274 4.5 41.8 1.0
H Q:THR274 4.5 41.8 1.0
C Q:GLU275 4.5 41.0 1.0
HB2 Q:HIS281 4.5 42.5 1.0
HA Q:CYS277 4.5 42.0 1.0
CA Q:HIS281 4.5 42.5 1.0
CD2 Q:HIS232 4.6 42.7 1.0
CG Q:MET284 4.6 43.8 1.0
CU Q:CU402 4.6 52.9 1.0
C Q:MET276 4.7 39.8 1.0
N Q:GLY233 4.7 41.6 1.0
C Q:HIS281 4.8 42.5 1.0
CA Q:GLU275 4.8 41.0 1.0
HD2 Q:HIS281 4.9 42.5 1.0
CB Q:GLU275 4.9 41.0 1.0
HA Q:HIS232 4.9 42.7 1.0
CA Q:HIS232 4.9 42.7 1.0
HG2 Q:MET284 4.9 43.8 1.0
HA Q:MET276 4.9 39.8 1.0

Copper binding site 2 out of 6 in 7rh7

Go back to Copper Binding Sites List in 7rh7
Copper binding site 2 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound


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, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Cu402

b:52.9
occ:1.00
HE2 Q:MET284 1.7 43.8 1.0
CE1 Q:HIS232 1.9 42.7 1.0
ND1 Q:HIS232 2.0 42.7 1.0
NE2 Q:HIS232 2.0 42.7 1.0
CD2 Q:HIS232 2.2 42.7 1.0
CG Q:HIS232 2.2 42.7 1.0
HE1 Q:HIS232 2.5 42.7 1.0
HD1 Q:HIS232 2.5 42.7 1.0
CE Q:MET284 2.7 43.8 1.0
HD2 Q:HIS232 2.8 42.7 1.0
HE1 Q:MET284 3.1 43.8 1.0
HE3 Q:MET284 3.3 43.8 1.0
CB Q:HIS232 3.3 42.7 1.0
HB3 Q:HIS232 3.3 42.7 1.0
SD Q:MET284 3.4 43.8 1.0
HG Q:CYS277 3.4 42.0 1.0
H Q:TRP138 3.5 45.0 1.0
SG Q:CYS277 3.5 42.0 1.0
HB2 Q:HIS232 3.6 42.7 1.0
HB3 Q:CYS277 3.6 42.0 1.0
O Q:PHE136 3.7 46.6 1.0
HG11 Q:VAL230 3.7 42.9 1.0
HG13 Q:VAL230 3.8 42.9 1.0
HA Q:GLN137 3.8 45.1 1.0
O Q:ALA135 4.0 44.2 1.0
CB Q:CYS277 4.1 42.0 1.0
CG1 Q:VAL230 4.1 42.9 1.0
HB3 Q:ALA135 4.2 44.2 1.0
C Q:PHE136 4.3 46.6 1.0
O Q:VAL230 4.3 42.9 1.0
N Q:TRP138 4.3 45.0 1.0
HG Q:SER227 4.4 44.5 1.0
HB2 Q:ALA135 4.4 44.2 1.0
HG12 Q:VAL230 4.4 42.9 1.0
C Q:ALA135 4.5 44.2 1.0
HG Q:CYS273 4.5 42.2 1.0
HA Q:CYS277 4.6 42.0 1.0
CA Q:HIS232 4.6 42.7 1.0
CA Q:GLN137 4.6 45.1 1.0
HG23 Q:VAL245 4.6 43.1 1.0
CU Q:CU401 4.6 52.1 1.0
HE22 Q:GLN137 4.7 45.1 1.0
SG Q:CYS273 4.7 42.2 1.0
CB Q:ALA135 4.7 44.2 1.0
HG21 Q:VAL245 4.8 43.1 1.0
O Q:ILE231 4.8 41.7 1.0
N Q:GLN137 4.8 45.1 1.0
H Q:VAL230 4.8 42.9 1.0
N Q:HIS232 4.8 42.7 1.0
HB2 Q:CYS277 4.8 42.0 1.0
H Q:ASN139 4.9 44.9 1.0
HA Q:TRP138 4.9 45.0 1.0
NE2 Q:GLN137 4.9 45.1 1.0
CA Q:CYS277 5.0 42.0 1.0
N Q:PHE136 5.0 46.6 1.0
HE21 Q:GLN137 5.0 45.1 1.0
OG Q:SER227 5.0 44.5 1.0

Copper binding site 3 out of 6 in 7rh7

Go back to Copper Binding Sites List in 7rh7
Copper binding site 3 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound


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, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Cu601

b:69.2
occ:1.00
HE1 R:HIS313 1.5 41.8 1.0
CE1 R:HIS313 1.8 41.8 1.0
NE2 R:HIS313 2.0 41.8 1.0
NE2 R:HIS314 2.0 40.4 1.0
ND1 R:HIS264 2.0 39.4 1.0
HE1 R:HIS264 2.2 39.4 1.0
CE1 R:HIS264 2.4 39.4 1.0
CE1 R:HIS314 2.5 40.4 1.0
HE1 R:HIS314 2.7 40.4 1.0
ND1 R:HIS313 3.0 41.8 1.0
CD2 R:HIS314 3.0 40.4 1.0
CD2 R:HIS313 3.3 41.8 1.0
CG R:HIS264 3.3 39.4 1.0
HD2 R:HIS314 3.4 40.4 1.0
HD1 R:HIS313 3.5 41.8 1.0
NE2 R:HIS264 3.6 39.4 1.0
ND1 R:HIS314 3.6 40.4 1.0
NA R:HEA603 3.7 44.0 1.0
CG R:HIS313 3.7 41.8 1.0
HB2 R:HIS264 3.8 39.4 1.0
CG R:HIS314 3.9 40.4 1.0
HD2 R:HIS313 3.9 41.8 1.0
C4A R:HEA603 4.0 44.0 1.0
CD2 R:HIS264 4.0 39.4 1.0
C1A R:HEA603 4.1 44.0 1.0
FE R:HEA603 4.1 44.0 1.0
CB R:HIS264 4.1 39.4 1.0
HA R:HIS264 4.2 39.4 1.0
HE2 R:HIS264 4.2 39.4 1.0
HD1 R:HIS314 4.3 40.4 1.0
HE1 R:TYR268 4.3 38.4 1.0
HG22 R:VAL267 4.3 38.2 1.0
CHB R:HEA603 4.4 44.0 1.0
NB R:HEA603 4.5 44.0 1.0
CHA R:HEA603 4.5 44.0 1.0
C3A R:HEA603 4.5 44.0 1.0
ND R:HEA603 4.5 44.0 1.0
C2A R:HEA603 4.6 44.0 1.0
C1B R:HEA603 4.6 44.0 1.0
HH R:TYR268 4.6 38.4 1.0
CA R:HIS264 4.7 39.4 1.0
C4D R:HEA603 4.7 44.0 1.0
HG21 R:VAL267 4.8 38.2 1.0
O R:VAL310 4.9 40.9 1.0
H R:HIS314 4.9 40.4 1.0
O R:TRP311 4.9 40.5 1.0
HB3 R:HIS264 4.9 39.4 1.0
HD2 R:HIS264 5.0 39.4 1.0

Copper binding site 4 out of 6 in 7rh7

Go back to Copper Binding Sites List in 7rh7
Copper binding site 4 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound


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, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cu401

b:51.7
occ:1.00
HG K:CYS273 1.2 42.5 1.0
SG K:CYS273 1.9 42.5 1.0
SG K:CYS277 1.9 42.1 1.0
HE1 K:HIS281 2.0 42.3 1.0
ND1 K:HIS281 2.0 42.3 1.0
CE1 K:HIS281 2.2 42.3 1.0
HB3 K:CYS273 2.6 42.5 1.0
CB K:CYS273 2.8 42.5 1.0
HB2 K:HIS232 3.0 43.4 1.0
HB2 K:CYS277 3.2 42.1 1.0
CB K:CYS277 3.3 42.1 1.0
SD K:MET284 3.3 43.9 1.0
CG K:HIS281 3.3 42.3 1.0
HB2 K:CYS273 3.4 42.5 1.0
HE1 K:MET284 3.5 43.9 1.0
NE2 K:HIS281 3.5 42.3 1.0
HE2 K:MET284 3.6 43.9 1.0
HA K:HIS281 3.7 42.3 1.0
CE K:MET284 3.7 43.9 1.0
H K:CYS277 3.7 42.1 1.0
CB K:HIS232 3.8 43.4 1.0
H K:GLU275 3.8 41.9 1.0
HB3 K:HIS232 3.8 43.4 1.0
N K:CYS277 3.9 42.1 1.0
HB3 K:CYS277 3.9 42.1 1.0
O K:HIS281 4.0 42.3 1.0
CD2 K:HIS281 4.0 42.3 1.0
HB2 K:MET284 4.1 43.9 1.0
CA K:CYS273 4.1 42.5 1.0
H K:GLY233 4.1 42.6 1.0
HE2 K:HIS281 4.1 42.3 1.0
CA K:CYS277 4.2 42.1 1.0
CG K:HIS232 4.2 43.4 1.0
HB3 K:GLU275 4.2 41.9 1.0
C K:CYS273 4.2 42.5 1.0
CB K:HIS281 4.2 42.3 1.0
ND1 K:HIS232 4.3 43.4 1.0
HB2 K:HIS281 4.3 42.3 1.0
CA K:HIS281 4.3 42.3 1.0
O K:CYS273 4.4 42.5 1.0
HA K:CYS273 4.4 42.5 1.0
O K:GLU275 4.5 41.9 1.0
HA K:CYS277 4.5 42.1 1.0
C K:MET276 4.5 40.5 1.0
CU K:CU402 4.6 45.9 1.0
C K:GLU275 4.6 41.9 1.0
N K:GLU275 4.6 41.9 1.0
HB3 K:MET284 4.6 43.9 1.0
C K:HIS281 4.6 42.3 1.0
CB K:MET284 4.6 43.9 1.0
HE3 K:MET284 4.6 43.9 1.0
CG K:MET284 4.6 43.9 1.0
HA K:MET276 4.6 40.5 1.0
N K:THR274 4.7 42.2 1.0
H K:THR274 4.8 42.2 1.0
HE1 L:TYR461 4.8 41.1 1.0
HH L:TYR461 4.9 41.1 1.0
N K:GLY233 4.9 42.6 1.0
CA K:MET276 5.0 40.5 1.0
CA K:GLU275 5.0 41.9 1.0
N K:MET276 5.0 40.5 1.0
HD2 K:HIS281 5.0 42.3 1.0
CB K:GLU275 5.0 41.9 1.0

Copper binding site 5 out of 6 in 7rh7

Go back to Copper Binding Sites List in 7rh7
Copper binding site 5 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound


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, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cu402

b:45.9
occ:1.00
CD2 K:HIS232 1.3 43.4 1.0
HD2 K:HIS232 1.4 43.4 1.0
NE2 K:HIS232 2.0 43.4 1.0
CG K:HIS232 2.1 43.4 1.0
HE1 K:MET284 2.3 43.9 1.0
HE2 K:HIS232 2.4 43.4 1.0
CE1 K:HIS232 2.8 43.4 1.0
ND1 K:HIS232 2.8 43.4 1.0
HB3 K:HIS232 2.9 43.4 1.0
CB K:HIS232 3.1 43.4 1.0
SG K:CYS277 3.1 42.1 1.0
CE K:MET284 3.2 43.9 1.0
HG11 K:VAL230 3.4 43.7 1.0
HE3 K:MET284 3.4 43.9 1.0
HB2 K:HIS232 3.5 43.4 1.0
HE1 K:HIS232 3.6 43.4 1.0
HB3 K:CYS277 3.6 42.1 1.0
HG13 K:VAL230 3.7 43.7 1.0
HE2 K:MET284 3.8 43.9 1.0
HG K:CYS273 3.9 42.5 1.0
CG1 K:VAL230 3.9 43.7 1.0
O K:PHE136 3.9 47.2 1.0
CB K:CYS277 4.0 42.1 1.0
O K:VAL230 4.0 43.7 1.0
H K:TRP138 4.1 45.5 1.0
SD K:MET284 4.1 43.9 1.0
O K:ALA135 4.1 44.9 1.0
HG12 K:VAL230 4.2 43.7 1.0
HG K:SER227 4.2 46.2 1.0
HA K:GLN137 4.3 46.0 1.0
HA K:CYS277 4.3 42.1 1.0
CA K:HIS232 4.3 43.4 1.0
HG23 K:VAL245 4.3 44.1 1.0
O K:ILE231 4.4 42.6 1.0
HB3 K:ALA135 4.4 44.9 1.0
N K:HIS232 4.4 43.4 1.0
C K:PHE136 4.5 47.2 1.0
HB2 K:ALA135 4.5 44.9 1.0
CU K:CU401 4.6 51.7 1.0
SG K:CYS273 4.6 42.5 1.0
HG21 K:VAL245 4.6 44.1 1.0
C K:ILE231 4.6 42.6 1.0
C K:ALA135 4.7 44.9 1.0
H K:HIS232 4.7 43.4 1.0
HB2 K:CYS277 4.7 42.1 1.0
CA K:CYS277 4.7 42.1 1.0
OG K:SER227 4.7 46.2 1.0
H K:VAL230 4.8 43.7 1.0
CG2 K:VAL245 4.8 44.1 1.0
CB K:ALA135 4.9 44.9 1.0
N K:TRP138 4.9 45.5 1.0
C K:VAL230 4.9 43.7 1.0
OE1 K:GLN137 4.9 46.0 1.0
HB2 K:SER227 4.9 46.2 1.0
HA K:HIS232 5.0 43.4 1.0
HG22 K:VAL245 5.0 44.1 1.0
HA K:PHE136 5.0 47.2 1.0

Copper binding site 6 out of 6 in 7rh7

Go back to Copper Binding Sites List in 7rh7
Copper binding site 6 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound


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, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cu602

b:67.3
occ:1.00
ND1 L:HIS264 2.0 39.6 1.0
NE2 L:HIS313 2.1 41.0 1.0
NE2 L:HIS314 2.1 40.2 1.0
CG L:HIS264 2.2 39.6 1.0
HE1 L:HIS313 2.4 41.0 1.0
CE1 L:HIS313 2.4 41.0 1.0
CE1 L:HIS264 2.6 39.6 1.0
HB2 L:HIS264 2.6 39.6 1.0
CD2 L:HIS264 2.9 39.6 1.0
CB L:HIS264 2.9 39.6 1.0
CE1 L:HIS314 3.0 40.2 1.0
NE2 L:HIS264 3.0 39.6 1.0
CD2 L:HIS314 3.1 40.2 1.0
HE1 L:HIS264 3.1 39.6 1.0
HE1 L:HIS314 3.2 40.2 1.0
CD2 L:HIS313 3.2 41.0 1.0
HD2 L:HIS314 3.3 40.2 1.0
HA L:HIS264 3.4 39.6 1.0
ND1 L:HIS313 3.5 41.0 1.0
HD2 L:HIS264 3.5 39.6 1.0
HB3 L:HIS264 3.7 39.6 1.0
HD2 L:HIS313 3.7 41.0 1.0
HE2 L:HIS264 3.7 39.6 1.0
CA L:HIS264 3.7 39.6 1.0
CG L:HIS313 3.9 41.0 1.0
ND1 L:HIS314 4.1 40.2 1.0
HD1 L:HIS313 4.1 41.0 1.0
CG L:HIS314 4.1 40.2 1.0
HG21 L:VAL267 4.2 38.1 1.0
HG22 L:VAL267 4.2 38.1 1.0
HA L:TRP311 4.2 40.2 1.0
O L:VAL310 4.4 40.8 1.0
O L:TRP311 4.4 40.2 1.0
CG2 L:VAL267 4.6 38.1 1.0
HG13 L:VAL310 4.7 40.8 1.0
C L:HIS264 4.7 39.6 1.0
N L:HIS264 4.8 39.6 1.0
NA L:HEA601 4.8 43.2 1.0
HD1 L:HIS314 4.8 40.2 1.0
H L:HIS264 4.9 39.6 1.0
O L:HIS264 4.9 39.6 1.0
HG23 L:VAL267 4.9 38.1 1.0
H L:HIS313 4.9 41.0 1.0
HE3 L:TRP260 4.9 38.6 1.0
FE L:HEA601 5.0 43.2 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 09:04:24 2024

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