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Copper in PDB 7rh6: Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open

Enzymatic activity of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open

All present enzymatic activity of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open:
1.15.1.1; 7.1.1.8; 7.1.1.9;

Other elements in 7rh6:

The structure of Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open also contains other interesting chemical elements:

Iron (Fe) 16 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open (pdb code 7rh6). 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, -Lpqe Cyt Cc Open, PDB code: 7rh6:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in 7rh6

Go back to Copper Binding Sites List in 7rh6
Copper binding site 1 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open


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, -Lpqe Cyt Cc Open within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Cu401

b:70.5
occ:1.00
HG Q:CYS273 1.0 55.3 1.0
HE1 Q:HIS281 1.7 54.1 1.0
HD1 Q:HIS281 1.7 54.1 1.0
SG Q:CYS273 1.8 55.3 1.0
SG Q:CYS277 1.8 53.6 1.0
CE1 Q:HIS281 2.0 54.1 1.0
ND1 Q:HIS281 2.0 54.1 1.0
HG Q:CYS277 2.0 53.6 1.0
HB3 Q:CYS273 2.6 55.3 1.0
CB Q:CYS273 2.8 55.3 1.0
HB2 Q:HIS232 3.0 54.8 1.0
NE2 Q:HIS281 3.3 54.1 1.0
HB2 Q:CYS273 3.3 55.3 1.0
CB Q:CYS277 3.4 53.6 1.0
CG Q:HIS281 3.4 54.1 1.0
HB2 Q:CYS277 3.4 53.6 1.0
SD Q:MET284 3.5 55.5 1.0
H Q:GLU275 3.6 53.3 1.0
HB3 Q:MET284 3.7 55.5 1.0
HE3 Q:MET284 3.8 55.5 1.0
CB Q:HIS232 3.8 54.8 1.0
HB3 Q:HIS232 3.8 54.8 1.0
HE2 Q:HIS281 3.9 54.1 1.0
HA Q:HIS281 3.9 54.1 1.0
HB3 Q:CYS277 3.9 53.6 1.0
H Q:GLY233 3.9 54.9 1.0
CD2 Q:HIS281 4.0 54.1 1.0
CA Q:CYS273 4.0 55.3 1.0
C Q:CYS273 4.0 55.3 1.0
CE Q:MET284 4.0 55.5 1.0
HE2 Q:MET284 4.1 55.5 1.0
HB3 Q:GLU275 4.1 53.3 1.0
O Q:HIS281 4.1 54.1 1.0
O Q:CYS273 4.2 55.3 1.0
HD2 Q:HIS232 4.2 54.8 1.0
H Q:CYS277 4.3 53.6 1.0
CG Q:HIS232 4.3 54.8 1.0
HB2 Q:MET284 4.3 55.5 1.0
N Q:CYS277 4.4 53.6 1.0
CB Q:MET284 4.4 55.5 1.0
CB Q:HIS281 4.4 54.1 1.0
O Q:GLU275 4.4 53.3 1.0
HA Q:CYS273 4.4 55.3 1.0
N Q:GLU275 4.4 53.3 1.0
CA Q:CYS277 4.4 53.6 1.0
N Q:THR274 4.4 54.8 1.0
H Q:THR274 4.4 54.8 1.0
CD2 Q:HIS232 4.5 54.8 1.0
CG Q:MET284 4.5 55.5 1.0
HB2 Q:HIS281 4.5 54.1 1.0
CA Q:HIS281 4.5 54.1 1.0
CU Q:CU402 4.6 64.6 1.0
C Q:GLU275 4.6 53.3 1.0
HA Q:CYS277 4.7 53.6 1.0
HE1 R:TYR461 4.7 52.9 1.0
C Q:HIS281 4.8 54.1 1.0
N Q:GLY233 4.8 54.9 1.0
HG2 Q:MET284 4.8 55.5 1.0
C Q:MET276 4.9 51.4 1.0
HD2 Q:HIS281 4.9 54.1 1.0
CA Q:GLU275 4.9 53.3 1.0
CB Q:GLU275 4.9 53.3 1.0
HE1 Q:MET284 5.0 55.5 1.0
CA Q:HIS232 5.0 54.8 1.0

Copper binding site 2 out of 6 in 7rh6

Go back to Copper Binding Sites List in 7rh6
Copper binding site 2 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open


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, -Lpqe Cyt Cc Open within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Cu402

b:64.6
occ:1.00
HE2 Q:MET284 1.9 55.5 1.0
CE1 Q:HIS232 1.9 54.8 1.0
ND1 Q:HIS232 2.0 54.8 1.0
NE2 Q:HIS232 2.1 54.8 1.0
CG Q:HIS232 2.2 54.8 1.0
CD2 Q:HIS232 2.3 54.8 1.0
HE1 Q:HIS232 2.4 54.8 1.0
HD1 Q:HIS232 2.5 54.8 1.0
CE Q:MET284 2.8 55.5 1.0
HD2 Q:HIS232 3.0 54.8 1.0
HE1 Q:MET284 3.3 55.5 1.0
HB3 Q:HIS232 3.3 54.8 1.0
CB Q:HIS232 3.3 54.8 1.0
O Q:PHE136 3.3 57.7 1.0
HE3 Q:MET284 3.4 55.5 1.0
SD Q:MET284 3.4 55.5 1.0
SG Q:CYS277 3.5 53.6 1.0
H Q:TRP138 3.5 55.6 1.0
HB3 Q:CYS277 3.5 53.6 1.0
HB2 Q:HIS232 3.6 54.8 1.0
HG11 Q:VAL230 3.6 53.8 1.0
HG13 Q:VAL230 3.7 53.8 1.0
HA Q:GLN137 3.9 55.4 1.0
HG Q:CYS273 4.0 55.3 1.0
CB Q:CYS277 4.1 53.6 1.0
CG1 Q:VAL230 4.1 53.8 1.0
O Q:ALA135 4.1 56.4 1.0
C Q:PHE136 4.2 57.7 1.0
HG Q:SER227 4.2 55.6 1.0
HB3 Q:ALA135 4.2 56.4 1.0
HG Q:CYS277 4.3 53.6 1.0
O Q:VAL230 4.3 53.8 1.0
HG12 Q:VAL230 4.3 53.8 1.0
N Q:TRP138 4.4 55.6 1.0
HB2 Q:ALA135 4.5 56.4 1.0
C Q:ALA135 4.6 56.4 1.0
CU Q:CU401 4.6 70.5 1.0
HA Q:CYS277 4.6 53.6 1.0
CA Q:HIS232 4.7 54.8 1.0
O Q:ILE231 4.7 53.7 1.0
HG23 Q:VAL245 4.7 55.6 1.0
CA Q:GLN137 4.7 55.4 1.0
SG Q:CYS273 4.8 55.3 1.0
CB Q:ALA135 4.8 56.4 1.0
HB2 Q:CYS277 4.8 53.6 1.0
HG21 Q:VAL245 4.8 55.6 1.0
H Q:VAL230 4.8 53.8 1.0
N Q:GLN137 4.8 55.4 1.0
HE22 Q:GLN137 4.9 55.4 1.0
N Q:HIS232 4.9 54.8 1.0
HA Q:TRP138 4.9 55.6 1.0
CA Q:CYS277 5.0 53.6 1.0
C Q:ILE231 5.0 53.7 1.0
N Q:PHE136 5.0 57.7 1.0

Copper binding site 3 out of 6 in 7rh6

Go back to Copper Binding Sites List in 7rh6
Copper binding site 3 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open


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, -Lpqe Cyt Cc Open within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Cu601

b:93.5
occ:1.00
HE1 R:HIS313 1.5 55.8 1.0
CE1 R:HIS313 1.8 55.8 1.0
NE2 R:HIS314 2.0 54.5 1.0
ND1 R:HIS264 2.0 52.5 1.0
NE2 R:HIS313 2.0 55.8 1.0
HE1 R:HIS264 2.2 52.5 1.0
CE1 R:HIS264 2.3 52.5 1.0
CE1 R:HIS314 2.5 54.5 1.0
HE1 R:HIS314 2.6 54.5 1.0
ND1 R:HIS313 3.0 55.8 1.0
CD2 R:HIS314 3.0 54.5 1.0
CD2 R:HIS313 3.3 55.8 1.0
CG R:HIS264 3.3 52.5 1.0
HD2 R:HIS314 3.5 54.5 1.0
HD1 R:HIS313 3.5 55.8 1.0
NE2 R:HIS264 3.5 52.5 1.0
ND1 R:HIS314 3.6 54.5 1.0
NA R:HEA603 3.7 54.8 1.0
CG R:HIS313 3.7 55.8 1.0
HB2 R:HIS264 3.8 52.5 1.0
CG R:HIS314 3.9 54.5 1.0
C4A R:HEA603 3.9 54.8 1.0
HD2 R:HIS313 4.0 55.8 1.0
C1A R:HEA603 4.0 54.8 1.0
CD2 R:HIS264 4.0 52.5 1.0
FE R:HEA603 4.0 54.8 1.0
CB R:HIS264 4.1 52.5 1.0
HE2 R:HIS264 4.2 52.5 1.0
HA R:HIS264 4.2 52.5 1.0
HE1 R:TYR268 4.3 51.3 1.0
HD1 R:HIS314 4.3 54.5 1.0
HG22 R:VAL267 4.3 51.3 1.0
CHB R:HEA603 4.4 54.8 1.0
NB R:HEA603 4.4 54.8 1.0
HH R:TYR268 4.5 51.3 1.0
C3A R:HEA603 4.5 54.8 1.0
CHA R:HEA603 4.5 54.8 1.0
ND R:HEA603 4.5 54.8 1.0
C2A R:HEA603 4.6 54.8 1.0
C1B R:HEA603 4.6 54.8 1.0
C4D R:HEA603 4.7 54.8 1.0
CA R:HIS264 4.7 52.5 1.0
HG21 R:VAL267 4.8 51.3 1.0
O R:VAL310 4.9 54.2 1.0
HB3 R:HIS264 4.9 52.5 1.0
HD2 R:HIS264 4.9 52.5 1.0
O R:TRP311 4.9 53.0 1.0
H R:HIS314 5.0 54.5 1.0
HHB R:HEA603 5.0 54.8 1.0
HG13 R:VAL310 5.0 54.2 1.0

Copper binding site 4 out of 6 in 7rh6

Go back to Copper Binding Sites List in 7rh6
Copper binding site 4 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open


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, -Lpqe Cyt Cc Open within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cu401

b:75.8
occ:1.00
HG K:CYS273 1.3 57.9 1.0
SG K:CYS273 1.8 57.9 1.0
SG K:CYS277 1.8 57.4 1.0
HE1 K:HIS281 1.9 56.9 1.0
ND1 K:HIS281 2.0 56.9 1.0
CE1 K:HIS281 2.2 56.9 1.0
HB3 K:CYS273 2.8 57.9 1.0
CB K:CYS273 2.9 57.9 1.0
HB2 K:HIS232 3.0 59.1 1.0
CB K:CYS277 3.2 57.4 1.0
HB2 K:CYS277 3.3 57.4 1.0
CG K:HIS281 3.4 56.9 1.0
HB3 K:HIS232 3.4 59.1 1.0
HB2 K:CYS273 3.4 57.9 1.0
NE2 K:HIS281 3.5 56.9 1.0
SD K:MET284 3.5 59.0 1.0
CB K:HIS232 3.6 59.1 1.0
H K:CYS277 3.7 57.4 1.0
HA K:HIS281 3.8 56.9 1.0
H K:GLU275 3.8 56.7 1.0
HE2 K:MET284 3.8 59.0 1.0
N K:CYS277 3.8 57.4 1.0
HB3 K:CYS277 3.9 57.4 1.0
HE1 K:MET284 4.0 59.0 1.0
HB3 K:GLU275 4.0 56.7 1.0
H K:GLY233 4.0 58.7 1.0
CE K:MET284 4.0 59.0 1.0
CD2 K:HIS281 4.0 56.9 1.0
HB2 K:MET284 4.1 59.0 1.0
HE2 K:HIS281 4.1 56.9 1.0
CA K:CYS273 4.1 57.9 1.0
CA K:CYS277 4.1 57.4 1.0
O K:HIS281 4.1 56.9 1.0
CU K:CU402 4.2 68.9 1.0
C K:CYS273 4.2 57.9 1.0
CB K:HIS281 4.3 56.9 1.0
HB2 K:HIS281 4.3 56.9 1.0
CG K:HIS232 4.3 59.1 1.0
HA K:CYS277 4.4 57.4 1.0
O K:GLU275 4.4 56.7 1.0
CA K:HIS281 4.4 56.9 1.0
C K:MET276 4.4 54.9 1.0
HA K:CYS273 4.4 57.9 1.0
O K:CYS273 4.4 57.9 1.0
C K:GLU275 4.5 56.7 1.0
N K:GLU275 4.5 56.7 1.0
HA K:MET276 4.6 54.9 1.0
N K:THR274 4.7 57.3 1.0
H K:THR274 4.7 57.3 1.0
C K:HIS281 4.7 56.9 1.0
CB K:MET284 4.7 59.0 1.0
HB3 K:MET284 4.7 59.0 1.0
CG K:MET284 4.8 59.0 1.0
CB K:GLU275 4.8 56.7 1.0
HD2 K:HIS232 4.8 59.1 1.0
CA K:GLU275 4.8 56.7 1.0
N K:GLY233 4.8 58.7 1.0
CD2 K:HIS232 4.8 59.1 1.0
HA K:HIS232 4.8 59.1 1.0
CA K:HIS232 4.8 59.1 1.0
CA K:MET276 4.9 54.9 1.0
N K:MET276 4.9 54.9 1.0
HE1 L:TYR461 4.9 55.3 1.0
HD2 K:HIS281 5.0 56.9 1.0
HE3 K:MET284 5.0 59.0 1.0
O K:MET276 5.0 54.9 1.0

Copper binding site 5 out of 6 in 7rh6

Go back to Copper Binding Sites List in 7rh6
Copper binding site 5 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open


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, -Lpqe Cyt Cc Open within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cu402

b:68.9
occ:1.00
CD2 K:HIS232 1.4 59.1 1.0
HD2 K:HIS232 1.5 59.1 1.0
NE2 K:HIS232 2.0 59.1 1.0
CG K:HIS232 2.2 59.1 1.0
HE2 K:HIS232 2.3 59.1 1.0
HE1 K:MET284 2.4 59.0 1.0
SG K:CYS277 2.6 57.4 1.0
CE1 K:HIS232 2.8 59.1 1.0
HB3 K:CYS277 2.8 57.4 1.0
ND1 K:HIS232 2.9 59.1 1.0
HB3 K:HIS232 3.1 59.1 1.0
CE K:MET284 3.2 59.0 1.0
CB K:HIS232 3.2 59.1 1.0
CB K:CYS277 3.2 57.4 1.0
HG11 K:VAL230 3.4 58.6 1.0
SD K:MET284 3.4 59.0 1.0
HG13 K:VAL230 3.4 58.6 1.0
HB2 K:HIS232 3.4 59.1 1.0
H K:TRP138 3.5 59.2 1.0
O K:PHE136 3.5 61.4 1.0
HE1 K:HIS232 3.5 59.1 1.0
HA K:CYS277 3.6 57.4 1.0
HG K:CYS273 3.7 57.9 1.0
HE3 K:MET284 3.7 59.0 1.0
CG1 K:VAL230 3.7 58.6 1.0
HE2 K:MET284 3.8 59.0 1.0
HG12 K:VAL230 3.8 58.6 1.0
HA K:GLN137 3.8 59.8 1.0
CA K:CYS277 4.0 57.4 1.0
HB2 K:CYS277 4.0 57.4 1.0
CU K:CU401 4.2 75.8 1.0
O K:ILE231 4.2 57.9 1.0
N K:TRP138 4.3 59.2 1.0
OE1 K:GLN137 4.3 59.8 1.0
C K:PHE136 4.4 61.4 1.0
O K:VAL230 4.5 58.6 1.0
SG K:CYS273 4.6 57.9 1.0
CA K:HIS232 4.6 59.1 1.0
CA K:GLN137 4.7 59.8 1.0
HB2 K:ALA135 4.7 60.1 1.0
C K:ILE231 4.8 57.9 1.0
HA K:TRP138 4.8 59.2 1.0
N K:HIS232 4.8 59.1 1.0
HG K:SER227 4.9 60.1 1.0
O K:ALA135 4.9 60.1 1.0
HD1 K:TRP138 4.9 59.2 1.0
O K:CYS277 4.9 57.4 1.0
N K:GLN137 4.9 59.8 1.0
C K:CYS277 5.0 57.4 1.0
N K:CYS277 5.0 57.4 1.0

Copper binding site 6 out of 6 in 7rh6

Go back to Copper Binding Sites List in 7rh6
Copper binding site 6 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Inhibitor Free, -Lpqe Cyt Cc Open


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, -Lpqe Cyt Cc Open within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cu601

b:86.2
occ:1.00
HE1 L:HIS313 1.7 58.6 1.0
CE1 L:HIS313 1.9 58.6 1.0
NE2 L:HIS314 2.0 57.6 1.0
NE2 L:HIS313 2.0 58.6 1.0
ND1 L:HIS264 2.6 55.6 1.0
CE1 L:HIS314 2.7 57.6 1.0
HE1 L:HIS314 2.8 57.6 1.0
CG L:HIS264 2.9 55.6 1.0
CE1 L:HIS264 3.0 55.6 1.0
CD2 L:HIS314 3.0 57.6 1.0
ND1 L:HIS313 3.1 58.6 1.0
HB2 L:HIS264 3.2 55.6 1.0
CD2 L:HIS313 3.2 58.6 1.0
HE1 L:HIS264 3.3 55.6 1.0
HD2 L:HIS314 3.4 57.6 1.0
NE2 L:HIS264 3.4 55.6 1.0
CD2 L:HIS264 3.4 55.6 1.0
CB L:HIS264 3.6 55.6 1.0
HD1 L:HIS313 3.6 58.6 1.0
CG L:HIS313 3.7 58.6 1.0
ND1 L:HIS314 3.8 57.6 1.0
HD2 L:HIS313 3.9 58.6 1.0
HA L:HIS264 3.9 55.6 1.0
CG L:HIS314 4.0 57.6 1.0
HE2 L:HIS264 4.0 55.6 1.0
HD2 L:HIS264 4.1 55.6 1.0
NA L:HEA603 4.1 57.1 1.0
HG23 L:VAL267 4.3 54.1 1.0
C1A L:HEA603 4.3 57.1 1.0
CA L:HIS264 4.4 55.6 1.0
HB3 L:HIS264 4.4 55.6 1.0
FE L:HEA603 4.4 57.1 1.0
HD1 L:HIS314 4.5 57.6 1.0
HG22 L:VAL267 4.5 54.1 1.0
C4A L:HEA603 4.5 57.1 1.0
CHA L:HEA603 4.7 57.1 1.0
ND L:HEA603 4.7 57.1 1.0
O L:VAL310 4.7 57.6 1.0
O L:TRP311 4.8 56.8 1.0
HA L:TRP311 4.8 56.8 1.0
C4D L:HEA603 4.8 57.1 1.0
CG2 L:VAL267 4.9 54.1 1.0
C2A L:HEA603 4.9 57.1 1.0
HG13 L:VAL310 4.9 57.6 1.0
C3A L:HEA603 5.0 57.1 1.0
NB L:HEA603 5.0 57.1 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 09:03:47 2024

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