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:

Iron (Fe) 16 atoms

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: Sat Aug 21 13:33:57 2021

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