Fluorine 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
Chlorine (Cl) 2 atoms
Copper (Cu) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound (pdb code 7rh7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound, PDB code: 7rh7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7rh7

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Fluorine binding site 1 out of 6 in the Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F607

b:36.1
occ:1.00
 F30 E:HUU607 0.0 36.1 1.0
C29 E:HUU607 1.4 36.1 1.0
F32 E:HUU607 2.2 36.1 1.0
F31 E:HUU607 2.2 36.1 1.0
H19 E:HUU607 2.3 36.1 1.0
O28 E:HUU607 2.3 36.1 1.0
C26 E:HUU607 3.0 36.1 1.0
C27 E:HUU607 3.0 36.1 1.0
HD11 E:ILE185 3.6 40.5 1.0
HD12 E:ILE185 4.1 40.5 1.0
SD E:MET189 4.2 38.2 1.0
CD1 E:ILE185 4.3 40.5 1.0
C25 E:HUU607 4.3 36.1 1.0
C33 E:HUU607 4.3 36.1 1.0
HE1 E:MET189 4.6 38.2 1.0
HD13 E:ILE185 4.7 40.5 1.0
H18 E:HUU607 4.8 36.1 1.0
HG2 E:MET189 4.8 38.2 1.0
H20 E:HUU607 4.8 36.1 1.0
CE E:MET189 4.8 38.2 1.0
HE3 E:MET189 4.9 38.2 1.0

Fluorine binding site 2 out of 6 in 7rh7

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


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F607

b:36.1
occ:1.00
 F31 E:HUU607 0.0 36.1 1.0
C29 E:HUU607 1.4 36.1 1.0
F32 E:HUU607 2.2 36.1 1.0
F30 E:HUU607 2.2 36.1 1.0
O28 E:HUU607 2.3 36.1 1.0
H19 E:HUU607 2.7 36.1 1.0
C27 E:HUU607 2.7 36.1 1.0
C26 E:HUU607 2.9 36.1 1.0
C33 E:HUU607 3.9 36.1 1.0
C25 E:HUU607 4.1 36.1 1.0
H20 E:HUU607 4.3 36.1 1.0
H18 E:HUU607 4.7 36.1 1.0
C34 E:HUU607 4.8 36.1 1.0
C24 E:HUU607 4.9 36.1 1.0

Fluorine binding site 3 out of 6 in 7rh7

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


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F607

b:36.1
occ:1.00
 F32 E:HUU607 0.0 36.1 1.0
C29 E:HUU607 1.4 36.1 1.0
F30 E:HUU607 2.2 36.1 1.0
F31 E:HUU607 2.2 36.1 1.0
O28 E:HUU607 2.3 36.1 1.0
C27 E:HUU607 3.6 36.1 1.0
H19 E:HUU607 4.0 36.1 1.0
C26 E:HUU607 4.2 36.1 1.0
HD11 E:ILE185 4.6 40.5 1.0
C33 E:HUU607 4.6 36.1 1.0
H20 E:HUU607 4.6 36.1 1.0

Fluorine binding site 4 out of 6 in 7rh7

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


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F608

b:37.3
occ:1.00
 F30 F:HUU608 0.0 37.3 1.0
C29 F:HUU608 1.4 37.3 1.0
F32 F:HUU608 2.2 37.3 1.0
F31 F:HUU608 2.2 37.3 1.0
O28 F:HUU608 2.3 37.3 1.0
H19 F:HUU608 2.3 37.3 1.0
C26 F:HUU608 3.0 37.3 1.0
C27 F:HUU608 3.0 37.3 1.0
HE2 F:MET189 3.5 37.0 1.0
HD11 F:ILE185 3.6 39.2 1.0
HD12 F:ILE185 3.9 39.2 1.0
HE1 F:MET189 4.0 37.0 1.0
CE F:MET189 4.1 37.0 1.0
CD1 F:ILE185 4.3 39.2 1.0
C25 F:HUU608 4.3 37.3 1.0
C33 F:HUU608 4.4 37.3 1.0
SD F:MET189 4.4 37.0 1.0
HG3 F:MET189 4.7 37.0 1.0
H18 F:HUU608 4.8 37.3 1.0
HD13 F:ILE185 4.8 39.2 1.0
H20 F:HUU608 4.8 37.3 1.0
H56 Y:9YF501 4.8 42.3 1.0

Fluorine binding site 5 out of 6 in 7rh7

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


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F608

b:37.3
occ:1.00
 F31 F:HUU608 0.0 37.3 1.0
C29 F:HUU608 1.4 37.3 1.0
F32 F:HUU608 2.2 37.3 1.0
F30 F:HUU608 2.2 37.3 1.0
O28 F:HUU608 2.3 37.3 1.0
C27 F:HUU608 2.7 37.3 1.0
H19 F:HUU608 2.9 37.3 1.0
C26 F:HUU608 3.0 37.3 1.0
C33 F:HUU608 3.6 37.3 1.0
H20 F:HUU608 4.0 37.3 1.0
C25 F:HUU608 4.1 37.3 1.0
C34 F:HUU608 4.6 37.3 1.0
HE2 F:MET189 4.7 37.0 1.0
H18 F:HUU608 4.7 37.3 1.0
C24 F:HUU608 4.8 37.3 1.0

Fluorine binding site 6 out of 6 in 7rh7

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


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Mycobacterial CIII2CIV2 Supercomplex, Telacebec (Q203) Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F608

b:37.3
occ:1.00
 F32 F:HUU608 0.0 37.3 1.0
C29 F:HUU608 1.4 37.3 1.0
F30 F:HUU608 2.2 37.3 1.0
F31 F:HUU608 2.2 37.3 1.0
O28 F:HUU608 2.3 37.3 1.0
C27 F:HUU608 3.5 37.3 1.0
H19 F:HUU608 4.0 37.3 1.0
C26 F:HUU608 4.3 37.3 1.0
HD11 F:ILE185 4.4 39.2 1.0
H20 F:HUU608 4.5 37.3 1.0
C33 F:HUU608 4.5 37.3 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: Fri Aug 2 12:06:54 2024

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