Atomistry » Fluorine » PDB 6no9-6oab » 6o0h
Atomistry »
  Fluorine »
    PDB 6no9-6oab »
      6o0h »

Fluorine in PDB 6o0h: Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143

Enzymatic activity of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143

All present enzymatic activity of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143:
2.3.3.8;

Other elements in 6o0h:

The structure of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 (pdb code 6o0h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143, PDB code: 6o0h:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 6o0h

Go back to Fluorine Binding Sites List in 6o0h
Fluorine binding site 1 out of 8 in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:41.8
occ:1.00
 F1 A:LBG2001 0.0 41.8 1.0
C5 A:LBG2001 1.3 41.8 1.0
C6 A:LBG2001 2.3 41.8 1.0
C4 A:LBG2001 2.3 41.8 1.0
O A:ARG378 2.6 44.8 1.0
N1 A:LBG2001 2.7 41.8 1.0
C A:ARG378 3.1 44.8 1.0
CA A:ARG379 3.2 41.7 1.0
N A:ARG379 3.4 41.7 1.0
C7 A:LBG2001 3.5 41.8 1.0
C15 A:LBG2001 3.6 41.8 1.0
CG1 A:VAL377 3.7 51.1 1.0
CZ A:PHE354 3.8 34.3 1.0
O1 A:LBG2001 3.9 41.8 1.0
CB A:ARG379 3.9 41.7 1.0
C8 A:LBG2001 4.1 41.8 1.0
CE1 A:PHE354 4.1 34.3 1.0
S1 A:LBG2001 4.2 41.8 1.0
C2 A:LBG2001 4.2 41.8 1.0
N A:ARG378 4.2 44.8 1.0
CA A:ARG378 4.3 44.8 1.0
C3 A:LBG2001 4.4 41.8 1.0
C A:ARG379 4.4 41.7 1.0
F2 A:LBG2001 4.6 41.8 1.0
O3 A:LBG2001 4.7 41.8 1.0
N A:GLY380 4.7 38.1 1.0
CA A:GLY341 4.8 45.8 1.0
CE2 A:PHE354 4.9 34.3 1.0
O A:ILE340 4.9 50.6 1.0

Fluorine binding site 2 out of 8 in 6o0h

Go back to Fluorine Binding Sites List in 6o0h
Fluorine binding site 2 out of 8 in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:41.8
occ:1.00
 F2 A:LBG2001 0.0 41.8 1.0
C7 A:LBG2001 1.3 41.8 1.0
C6 A:LBG2001 2.3 41.8 1.0
C8 A:LBG2001 2.3 41.8 1.0
C9 A:LBG2001 2.7 41.8 1.0
C14 A:LBG2001 3.1 41.8 1.0
CD1 A:ILE357 3.2 42.8 1.0
C5 A:LBG2001 3.5 41.8 1.0
CG2 A:ILE340 3.6 50.6 1.0
C15 A:LBG2001 3.6 41.8 1.0
C10 A:LBG2001 3.6 41.8 1.0
C4 A:LBG2001 4.1 41.8 1.0
C13 A:LBG2001 4.2 41.8 1.0
CE1 A:PHE354 4.3 34.3 1.0
CG1 A:ILE357 4.3 42.8 1.0
CB A:ILE357 4.4 42.8 1.0
CG2 A:ILE357 4.5 42.8 1.0
CD1 A:PHE354 4.5 34.3 1.0
C11 A:LBG2001 4.5 41.8 1.0
CZ A:PHE354 4.6 34.3 1.0
F1 A:LBG2001 4.6 41.8 1.0
C12 A:LBG2001 4.8 41.8 1.0
CB A:ILE340 5.0 50.6 1.0

Fluorine binding site 3 out of 8 in 6o0h

Go back to Fluorine Binding Sites List in 6o0h
Fluorine binding site 3 out of 8 in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2001

b:40.7
occ:1.00
 F1 B:LBG2001 0.0 40.7 1.0
C5 B:LBG2001 1.3 40.7 1.0
C6 B:LBG2001 2.3 40.7 1.0
C4 B:LBG2001 2.3 40.7 1.0
O B:ARG378 2.6 44.0 1.0
N1 B:LBG2001 2.7 40.7 1.0
C B:ARG378 3.1 44.0 1.0
CA B:ARG379 3.2 41.0 1.0
N B:ARG379 3.4 41.0 1.0
C7 B:LBG2001 3.5 40.7 1.0
C15 B:LBG2001 3.6 40.7 1.0
CG1 B:VAL377 3.7 51.8 1.0
CZ B:PHE354 3.8 34.5 1.0
O1 B:LBG2001 3.9 40.7 1.0
CB B:ARG379 3.9 41.0 1.0
C8 B:LBG2001 4.1 40.7 1.0
CE1 B:PHE354 4.1 34.5 1.0
S1 B:LBG2001 4.2 40.7 1.0
C2 B:LBG2001 4.2 40.7 1.0
N B:ARG378 4.2 44.0 1.0
CA B:ARG378 4.3 44.0 1.0
C3 B:LBG2001 4.4 40.7 1.0
C B:ARG379 4.4 41.0 1.0
F2 B:LBG2001 4.6 40.7 1.0
O3 B:LBG2001 4.7 40.7 1.0
N B:GLY380 4.7 37.4 1.0
CA B:GLY341 4.8 46.0 1.0
CE2 B:PHE354 4.9 34.5 1.0
O B:ILE340 4.9 50.9 1.0
C B:VAL377 5.0 51.8 1.0

Fluorine binding site 4 out of 8 in 6o0h

Go back to Fluorine Binding Sites List in 6o0h
Fluorine binding site 4 out of 8 in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2001

b:40.7
occ:1.00
 F2 B:LBG2001 0.0 40.7 1.0
C7 B:LBG2001 1.3 40.7 1.0
C6 B:LBG2001 2.3 40.7 1.0
C8 B:LBG2001 2.3 40.7 1.0
C9 B:LBG2001 2.7 40.7 1.0
C14 B:LBG2001 3.1 40.7 1.0
CD1 B:ILE357 3.2 42.5 1.0
C5 B:LBG2001 3.5 40.7 1.0
CG2 B:ILE340 3.6 50.9 1.0
C15 B:LBG2001 3.6 40.7 1.0
C10 B:LBG2001 3.6 40.7 1.0
C4 B:LBG2001 4.1 40.7 1.0
C13 B:LBG2001 4.2 40.7 1.0
CE1 B:PHE354 4.3 34.5 1.0
CG1 B:ILE357 4.3 42.5 1.0
CB B:ILE357 4.4 42.5 1.0
CG2 B:ILE357 4.5 42.5 1.0
CD1 B:PHE354 4.5 34.5 1.0
C11 B:LBG2001 4.5 40.7 1.0
CZ B:PHE354 4.6 34.5 1.0
F1 B:LBG2001 4.6 40.7 1.0
C12 B:LBG2001 4.8 40.7 1.0
CB B:ILE340 5.0 50.9 1.0

Fluorine binding site 5 out of 8 in 6o0h

Go back to Fluorine Binding Sites List in 6o0h
Fluorine binding site 5 out of 8 in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:41.4
occ:1.00
 F1 C:LBG2001 0.0 41.4 1.0
C5 C:LBG2001 1.3 41.4 1.0
C6 C:LBG2001 2.3 41.4 1.0
C4 C:LBG2001 2.3 41.4 1.0
O C:ARG378 2.6 45.2 1.0
N1 C:LBG2001 2.7 41.4 1.0
C C:ARG378 3.1 45.2 1.0
CA C:ARG379 3.2 42.0 1.0
N C:ARG379 3.4 42.0 1.0
C7 C:LBG2001 3.5 41.4 1.0
C15 C:LBG2001 3.6 41.4 1.0
CG1 C:VAL377 3.7 51.4 1.0
CZ C:PHE354 3.8 33.9 1.0
O1 C:LBG2001 3.9 41.4 1.0
CB C:ARG379 3.9 42.0 1.0
C8 C:LBG2001 4.1 41.4 1.0
CE1 C:PHE354 4.1 33.9 1.0
S1 C:LBG2001 4.2 41.4 1.0
C2 C:LBG2001 4.2 41.4 1.0
N C:ARG378 4.2 45.2 1.0
CA C:ARG378 4.3 45.2 1.0
C3 C:LBG2001 4.4 41.4 1.0
C C:ARG379 4.4 42.0 1.0
F2 C:LBG2001 4.6 41.4 1.0
O3 C:LBG2001 4.7 41.4 1.0
N C:GLY380 4.7 39.1 1.0
CA C:GLY341 4.8 46.4 1.0
CE2 C:PHE354 4.9 33.9 1.0
O C:ILE340 4.9 50.1 1.0
C C:VAL377 5.0 51.4 1.0

Fluorine binding site 6 out of 8 in 6o0h

Go back to Fluorine Binding Sites List in 6o0h
Fluorine binding site 6 out of 8 in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:41.4
occ:1.00
 F2 C:LBG2001 0.0 41.4 1.0
C7 C:LBG2001 1.3 41.4 1.0
C6 C:LBG2001 2.3 41.4 1.0
C8 C:LBG2001 2.3 41.4 1.0
C9 C:LBG2001 2.7 41.4 1.0
C14 C:LBG2001 3.1 41.4 1.0
CD1 C:ILE357 3.2 40.4 1.0
C5 C:LBG2001 3.5 41.4 1.0
CG2 C:ILE340 3.6 50.1 1.0
C15 C:LBG2001 3.6 41.4 1.0
C10 C:LBG2001 3.6 41.4 1.0
C4 C:LBG2001 4.1 41.4 1.0
C13 C:LBG2001 4.2 41.4 1.0
CE1 C:PHE354 4.3 33.9 1.0
CG1 C:ILE357 4.3 40.4 1.0
CB C:ILE357 4.4 40.4 1.0
CG2 C:ILE357 4.5 40.4 1.0
CD1 C:PHE354 4.5 33.9 1.0
C11 C:LBG2001 4.5 41.4 1.0
CZ C:PHE354 4.6 33.9 1.0
F1 C:LBG2001 4.6 41.4 1.0
C12 C:LBG2001 4.8 41.4 1.0
CB C:ILE340 5.0 50.1 1.0

Fluorine binding site 7 out of 8 in 6o0h

Go back to Fluorine Binding Sites List in 6o0h
Fluorine binding site 7 out of 8 in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F2001

b:40.5
occ:1.00
 F1 D:LBG2001 0.0 40.5 1.0
C5 D:LBG2001 1.3 40.5 1.0
C6 D:LBG2001 2.3 40.5 1.0
C4 D:LBG2001 2.3 40.5 1.0
O D:ARG378 2.6 44.8 1.0
N1 D:LBG2001 2.7 40.5 1.0
C D:ARG378 3.1 44.8 1.0
CA D:ARG379 3.2 41.4 1.0
N D:ARG379 3.4 41.4 1.0
C7 D:LBG2001 3.5 40.5 1.0
C15 D:LBG2001 3.6 40.5 1.0
CG1 D:VAL377 3.7 51.5 1.0
CZ D:PHE354 3.8 33.3 1.0
O1 D:LBG2001 3.9 40.5 1.0
CB D:ARG379 3.9 41.4 1.0
C8 D:LBG2001 4.1 40.5 1.0
CE1 D:PHE354 4.1 33.3 1.0
S1 D:LBG2001 4.2 40.5 1.0
C2 D:LBG2001 4.2 40.5 1.0
N D:ARG378 4.2 44.8 1.0
CA D:ARG378 4.3 44.8 1.0
C3 D:LBG2001 4.4 40.5 1.0
C D:ARG379 4.4 41.4 1.0
F2 D:LBG2001 4.6 40.5 1.0
O3 D:LBG2001 4.7 40.5 1.0
N D:GLY380 4.7 37.3 1.0
CA D:GLY341 4.8 45.4 1.0
CE2 D:PHE354 4.9 33.3 1.0
O D:ILE340 4.9 49.6 1.0
C D:VAL377 5.0 51.5 1.0

Fluorine binding site 8 out of 8 in 6o0h

Go back to Fluorine Binding Sites List in 6o0h
Fluorine binding site 8 out of 8 in the Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F2001

b:40.5
occ:1.00
 F2 D:LBG2001 0.0 40.5 1.0
C7 D:LBG2001 1.3 40.5 1.0
C6 D:LBG2001 2.3 40.5 1.0
C8 D:LBG2001 2.3 40.5 1.0
C9 D:LBG2001 2.7 40.5 1.0
C14 D:LBG2001 3.1 40.5 1.0
CD1 D:ILE357 3.2 41.2 1.0
C5 D:LBG2001 3.5 40.5 1.0
CG2 D:ILE340 3.6 49.6 1.0
C15 D:LBG2001 3.6 40.5 1.0
C10 D:LBG2001 3.6 40.5 1.0
C4 D:LBG2001 4.1 40.5 1.0
C13 D:LBG2001 4.2 40.5 1.0
CE1 D:PHE354 4.3 33.3 1.0
CG1 D:ILE357 4.3 41.2 1.0
CB D:ILE357 4.4 41.2 1.0
CG2 D:ILE357 4.5 41.2 1.0
CD1 D:PHE354 4.5 33.3 1.0
C11 D:LBG2001 4.5 40.5 1.0
CZ D:PHE354 4.6 33.3 1.0
F1 D:LBG2001 4.6 40.5 1.0
C12 D:LBG2001 4.8 40.5 1.0
CB D:ILE340 5.0 49.6 1.0

Reference:

J.Wei, S.Leit, J.Kuai, E.Therrien, S.Rafi, H.J.Harwood Jr., B.Delabarre, L.Tong. An Allosteric Mechanism For Potent Inhibition of Human Atp-Citrate Lyase. Nature V. 568 566 2019.
ISSN: ESSN 1476-4687
PubMed: 30944472
DOI: 10.1038/S41586-019-1094-6
Page generated: Thu Aug 1 23:17:09 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy