Atomistry » Fluorine » PDB 6v34-6viw » 6vfz
Atomistry »
  Fluorine »
    PDB 6v34-6viw »
      6vfz »

Fluorine in PDB 6vfz: Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.

Enzymatic activity of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.

All present enzymatic activity of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.:
1.1.1.42;

Protein crystallography data

The structure of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor., PDB code: 6vfz was solved by A.Padyana, L.Jin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.06 / 1.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.068, 119.797, 130.973, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 20.9

Other elements in 6vfz:

The structure of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Chlorine (Cl) 2 atoms
Sodium (Na) 2 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. (pdb code 6vfz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor., PDB code: 6vfz:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 1 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:15.8
occ:0.57
 F04 A:9UO501 0.0 15.8 0.6
F25 A:9UO501 0.5 16.3 0.4
C03 A:9UO501 1.4 14.6 0.6
C23 A:9UO501 1.4 15.0 0.4
F26 A:9UO501 2.2 15.3 0.4
F06 A:9UO501 2.2 17.0 0.6
C21 A:9UO501 2.2 14.8 0.4
F05 A:9UO501 2.2 15.4 0.6
C02 A:9UO501 2.3 15.9 0.6
F24 A:9UO501 2.5 14.7 0.4
N20 A:9UO501 2.6 13.3 0.4
N07 A:9UO501 2.7 15.4 0.6
C08 A:9UO501 3.0 12.5 0.6
N27 A:9UO501 3.0 10.1 0.4
N27 A:9UO501 3.0 10.5 0.6
C19 A:9UO501 3.0 12.4 0.4
CD1 A:ILE319 3.5 16.7 1.0
O B:VAL294 3.6 12.7 1.0
C22 A:9UO501 3.6 16.1 0.4
CG2 A:ILE319 3.6 10.4 1.0
CG1 A:ILE319 3.7 16.1 1.0
C01 A:9UO501 3.7 14.3 0.6
N09 A:9UO501 3.9 10.8 0.6
C19 A:9UO501 4.0 10.0 0.6
CB B:VAL294 4.0 16.1 1.0
C08 A:9UO501 4.0 10.3 0.4
N18 A:9UO501 4.1 10.7 0.4
C B:VAL294 4.3 13.8 1.0
CB A:ILE319 4.3 13.1 1.0
CA B:VAL294 4.4 14.5 1.0
CB B:LEU298 4.4 14.5 1.0
C21 A:9UO501 4.5 12.2 0.6
CG1 B:VAL294 4.6 15.7 1.0
CD1 B:LEU298 4.6 19.5 1.0
C02 A:9UO501 4.6 12.4 0.4
N07 A:9UO501 4.7 10.7 0.4
N20 A:9UO501 4.7 8.6 0.6
C10 A:9UO501 4.8 10.1 0.6
N18 A:9UO501 4.8 8.5 0.6
N B:LEU298 4.8 13.4 1.0
N09 A:9UO501 4.9 7.7 0.4
C10 A:9UO501 5.0 10.3 0.4
CA B:LEU298 5.0 18.0 1.0
CG B:LEU298 5.0 20.0 1.0

Fluorine binding site 2 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 2 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:14.0
occ:0.43
 F04 A:9UO501 0.0 14.0 0.4
F26 A:9UO501 0.6 17.9 0.6
C03 A:9UO501 1.4 15.3 0.4
C23 A:9UO501 1.4 15.4 0.6
C21 A:9UO501 2.0 12.2 0.6
F24 A:9UO501 2.2 16.1 0.6
F06 A:9UO501 2.2 17.3 0.4
F05 A:9UO501 2.2 16.1 0.4
N20 A:9UO501 2.3 8.6 0.6
C02 A:9UO501 2.4 12.4 0.4
F25 A:9UO501 2.5 11.3 0.6
N07 A:9UO501 2.7 10.7 0.4
C08 A:9UO501 2.8 10.3 0.4
C19 A:9UO501 2.8 10.0 0.6
N27 A:9UO501 2.9 10.1 0.4
N27 A:9UO501 2.9 10.5 0.6
CD1 B:ILE319 3.4 11.9 1.0
C22 A:9UO501 3.4 12.6 0.6
CG1 B:ILE319 3.7 16.1 1.0
C01 A:9UO501 3.7 10.2 0.4
O A:VAL294 3.7 14.9 1.0
N09 A:9UO501 3.7 7.7 0.4
CG2 B:ILE319 3.7 15.0 1.0
C19 A:9UO501 3.8 12.4 0.4
CB A:VAL294 3.9 11.8 1.0
N18 A:9UO501 3.9 8.5 0.6
C08 A:9UO501 4.0 12.5 0.6
C A:VAL294 4.3 13.2 1.0
CA A:VAL294 4.3 11.7 1.0
CG1 A:VAL294 4.3 11.2 1.0
CB B:ILE319 4.3 17.7 1.0
C21 A:9UO501 4.4 14.8 0.4
C10 A:9UO501 4.5 10.3 0.4
N18 A:9UO501 4.5 10.7 0.4
N20 A:9UO501 4.6 13.3 0.4
C02 A:9UO501 4.7 15.9 0.6
CB A:LEU298 4.7 24.4 1.0
N07 A:9UO501 4.8 15.4 0.6
C10 A:9UO501 4.8 10.1 0.6
N09 A:9UO501 4.8 10.8 0.6
CD1 A:LEU298 5.0 23.1 1.0

Fluorine binding site 3 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 3 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:15.4
occ:0.57
 F05 A:9UO501 0.0 15.4 0.6
F24 A:9UO501 0.8 14.7 0.4
C03 A:9UO501 1.4 14.6 0.6
C23 A:9UO501 1.5 15.0 0.4
F25 A:9UO501 1.8 16.3 0.4
F06 A:9UO501 2.2 17.0 0.6
F04 A:9UO501 2.2 15.8 0.6
C02 A:9UO501 2.4 15.9 0.6
C21 A:9UO501 2.6 14.8 0.4
F26 A:9UO501 2.6 15.3 0.4
C01 A:9UO501 2.9 14.3 0.6
C22 A:9UO501 3.2 16.1 0.4
CD1 B:LEU298 3.3 19.5 1.0
CB B:LEU298 3.5 14.5 1.0
N07 A:9UO501 3.6 15.4 0.6
CA B:LEU298 3.6 18.0 1.0
N B:LEU298 3.7 13.4 1.0
CZ2 B:TRP164 3.7 15.8 1.0
N20 A:9UO501 3.8 13.3 0.4
CG B:LEU298 4.0 20.0 1.0
CG1 B:VAL297 4.0 17.2 1.0
O B:VAL294 4.1 12.7 1.0
CH2 B:TRP164 4.3 13.8 1.0
C B:VAL297 4.4 14.9 1.0
C08 A:9UO501 4.5 12.5 0.6
N27 A:9UO501 4.5 10.5 0.6
N27 A:9UO501 4.6 10.1 0.4
CB B:VAL297 4.6 14.8 1.0
C19 A:9UO501 4.7 12.4 0.4
CE2 B:TRP164 4.8 12.3 1.0
O B:VAL297 4.8 10.1 1.0
CD2 B:LEU298 4.9 21.1 1.0
CG2 A:ILE319 4.9 10.4 1.0

Fluorine binding site 4 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 4 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:16.1
occ:0.43
 F05 A:9UO501 0.0 16.1 0.4
F25 A:9UO501 0.9 11.3 0.6
C03 A:9UO501 1.4 15.3 0.4
C23 A:9UO501 1.6 15.4 0.6
F26 A:9UO501 1.9 17.9 0.6
F06 A:9UO501 2.2 17.3 0.4
F04 A:9UO501 2.2 14.0 0.4
C02 A:9UO501 2.3 12.4 0.4
C21 A:9UO501 2.5 12.2 0.6
F24 A:9UO501 2.8 16.1 0.6
C01 A:9UO501 2.9 10.2 0.4
C22 A:9UO501 3.2 12.6 0.6
CD1 A:LEU298 3.3 23.1 1.0
CB A:LEU298 3.6 24.4 1.0
N07 A:9UO501 3.6 10.7 0.4
N20 A:9UO501 3.7 8.6 0.6
CA A:LEU298 3.8 21.1 1.0
N A:LEU298 4.0 18.3 1.0
CG A:LEU298 4.0 25.0 1.0
CZ2 A:TRP164 4.1 14.1 1.0
O A:VAL294 4.2 14.9 1.0
N27 A:9UO501 4.3 10.1 0.4
C08 A:9UO501 4.3 10.3 0.4
N27 A:9UO501 4.4 10.5 0.6
CG1 A:VAL297 4.5 15.4 1.0
C19 A:9UO501 4.5 10.0 0.6
CG2 B:ILE319 4.5 15.0 1.0
CH2 A:TRP164 4.6 12.1 1.0
C A:VAL297 4.7 17.4 1.0
CD2 A:LEU298 4.8 30.4 1.0
CB A:VAL297 4.9 13.4 1.0

Fluorine binding site 5 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 5 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:17.0
occ:0.57
 F06 A:9UO501 0.0 17.0 0.6
F26 A:9UO501 0.6 15.3 0.4
C23 A:9UO501 1.3 15.0 0.4
C03 A:9UO501 1.4 14.6 0.6
F24 A:9UO501 1.8 14.7 0.4
F25 A:9UO501 2.1 16.3 0.4
F04 A:9UO501 2.2 15.8 0.6
F05 A:9UO501 2.2 15.4 0.6
C02 A:9UO501 2.3 15.9 0.6
C21 A:9UO501 2.5 14.8 0.4
C01 A:9UO501 2.7 14.3 0.6
N07 A:9UO501 2.7 15.4 0.6
N20 A:9UO501 3.0 13.3 0.4
C22 A:9UO501 3.1 16.1 0.4
CG1 B:VAL297 3.1 17.2 1.0
O B:VAL294 3.2 12.7 1.0
CB B:VAL297 3.3 14.8 1.0
C08 A:9UO501 3.8 12.5 0.6
CA B:VAL294 3.9 14.5 1.0
N B:LEU298 3.9 13.4 1.0
C B:VAL294 4.0 13.8 1.0
CB B:VAL294 4.1 16.1 1.0
C19 A:9UO501 4.1 12.4 0.4
C B:VAL297 4.3 14.9 1.0
CG2 B:VAL297 4.3 9.3 1.0
CZ3 B:TRP306 4.3 13.3 1.0
CA B:VAL297 4.3 16.8 1.0
CG1 B:VAL294 4.4 15.7 1.0
OE1 B:GLN316 4.4 17.5 1.0
CH2 B:TRP306 4.4 15.7 1.0
N27 A:9UO501 4.5 10.5 0.6
CA B:LEU298 4.5 18.0 1.0
N09 A:9UO501 4.6 10.8 0.6
N27 A:9UO501 4.6 10.1 0.4
CB B:LEU298 4.7 14.5 1.0
N B:VAL297 4.9 15.0 1.0
CZ2 B:TRP164 4.9 15.8 1.0

Fluorine binding site 6 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 6 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:17.3
occ:0.43
 F06 A:9UO501 0.0 17.3 0.4
F24 A:9UO501 0.7 16.1 0.6
C23 A:9UO501 1.1 15.4 0.6
C03 A:9UO501 1.4 15.3 0.4
F25 A:9UO501 1.6 11.3 0.6
F26 A:9UO501 2.1 17.9 0.6
F04 A:9UO501 2.2 14.0 0.4
F05 A:9UO501 2.2 16.1 0.4
C21 A:9UO501 2.3 12.2 0.6
C02 A:9UO501 2.3 12.4 0.4
C01 A:9UO501 2.6 10.2 0.4
C22 A:9UO501 2.7 12.6 0.6
N07 A:9UO501 2.9 10.7 0.4
N20 A:9UO501 2.9 8.6 0.6
CG1 A:VAL297 3.2 15.4 1.0
CB A:VAL297 3.4 13.4 1.0
O A:VAL294 3.4 14.9 1.0
C08 A:9UO501 3.9 10.3 0.4
N A:LEU298 3.9 18.3 1.0
CA A:VAL294 4.1 11.7 1.0
C19 A:9UO501 4.1 10.0 0.6
C A:VAL294 4.2 13.2 1.0
C A:VAL297 4.3 17.4 1.0
CB A:VAL294 4.4 11.8 1.0
CG2 A:VAL297 4.4 18.2 1.0
CA A:VAL297 4.4 14.3 1.0
N27 A:9UO501 4.5 10.1 0.4
CZ3 A:TRP306 4.5 13.4 1.0
OE1 A:GLN316 4.5 19.5 1.0
CA A:LEU298 4.6 21.1 1.0
CH2 A:TRP306 4.6 11.6 1.0
N09 A:9UO501 4.6 7.7 0.4
CG1 A:VAL294 4.6 11.2 1.0
N27 A:9UO501 4.6 10.5 0.6
CB A:LEU298 4.7 24.4 1.0
CZ2 A:TRP164 4.8 14.1 1.0
N A:VAL297 5.0 12.8 1.0

Fluorine binding site 7 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 7 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:16.1
occ:0.57
 F24 A:9UO501 0.0 16.1 0.6
F06 A:9UO501 0.7 17.3 0.4
C23 A:9UO501 1.4 15.4 0.6
C03 A:9UO501 1.7 15.3 0.4
F04 A:9UO501 2.2 14.0 0.4
F25 A:9UO501 2.2 11.3 0.6
F26 A:9UO501 2.2 17.9 0.6
C21 A:9UO501 2.3 12.2 0.6
C02 A:9UO501 2.5 12.4 0.4
N20 A:9UO501 2.6 8.6 0.6
N07 A:9UO501 2.6 10.7 0.4
F05 A:9UO501 2.8 16.1 0.4
C22 A:9UO501 2.9 12.6 0.6
C01 A:9UO501 2.9 10.2 0.4
O A:VAL294 3.4 14.9 1.0
CG1 A:VAL297 3.5 15.4 1.0
CB A:VAL297 3.5 13.4 1.0
C08 A:9UO501 3.5 10.3 0.4
CA A:VAL294 3.6 11.7 1.0
C19 A:9UO501 3.8 10.0 0.6
CB A:VAL294 3.9 11.8 1.0
C A:VAL294 4.0 13.2 1.0
CG1 A:VAL294 4.0 11.2 1.0
CH2 A:TRP306 4.1 11.6 1.0
CZ3 A:TRP306 4.1 13.4 1.0
OE1 A:GLN316 4.1 19.5 1.0
N09 A:9UO501 4.2 7.7 0.4
N27 A:9UO501 4.3 10.1 0.4
CG2 A:VAL297 4.3 18.2 1.0
N A:LEU298 4.4 18.3 1.0
N27 A:9UO501 4.5 10.5 0.6
N18 A:9UO501 4.6 8.5 0.6
CA A:VAL297 4.7 14.3 1.0
C A:VAL297 4.8 17.4 1.0
N A:VAL294 4.9 9.6 1.0
O A:MET293 4.9 14.0 1.0

Fluorine binding site 8 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 8 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:14.7
occ:0.43
 F24 A:9UO501 0.0 14.7 0.4
F05 A:9UO501 0.8 15.4 0.6
C03 A:9UO501 1.3 14.6 0.6
C23 A:9UO501 1.4 15.0 0.4
F06 A:9UO501 1.8 17.0 0.6
C02 A:9UO501 2.1 15.9 0.6
F25 A:9UO501 2.2 16.3 0.4
F26 A:9UO501 2.2 15.3 0.4
C01 A:9UO501 2.3 14.3 0.6
C21 A:9UO501 2.4 14.8 0.4
F04 A:9UO501 2.5 15.8 0.6
C22 A:9UO501 2.7 16.1 0.4
N07 A:9UO501 3.3 15.4 0.6
CG1 B:VAL297 3.4 17.2 1.0
CZ2 B:TRP164 3.4 15.8 1.0
N20 A:9UO501 3.6 13.3 0.4
N B:LEU298 3.8 13.4 1.0
CA B:LEU298 3.9 18.0 1.0
CD1 B:LEU298 4.0 19.5 1.0
CH2 B:TRP164 4.0 13.8 1.0
CB B:VAL297 4.1 14.8 1.0
CB B:LEU298 4.1 14.5 1.0
C B:VAL297 4.2 14.9 1.0
O B:VAL294 4.2 12.7 1.0
C08 A:9UO501 4.4 12.5 0.6
CE2 B:TRP164 4.6 12.3 1.0
O B:VAL297 4.6 10.1 1.0
N27 A:9UO501 4.6 10.5 0.6
C19 A:9UO501 4.6 12.4 0.4
CG B:LEU298 4.7 20.0 1.0
N27 A:9UO501 4.8 10.1 0.4
CA B:VAL297 4.8 16.8 1.0
NE1 B:TRP164 5.0 13.2 1.0

Fluorine binding site 9 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 9 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:11.3
occ:0.57
 F25 A:9UO501 0.0 11.3 0.6
F05 A:9UO501 0.9 16.1 0.4
C03 A:9UO501 1.3 15.3 0.4
C23 A:9UO501 1.4 15.4 0.6
F06 A:9UO501 1.6 17.3 0.4
C02 A:9UO501 2.2 12.4 0.4
F26 A:9UO501 2.2 17.9 0.6
F24 A:9UO501 2.2 16.1 0.6
C21 A:9UO501 2.4 12.2 0.6
C01 A:9UO501 2.4 10.2 0.4
F04 A:9UO501 2.5 14.0 0.4
C22 A:9UO501 2.7 12.6 0.6
N07 A:9UO501 3.4 10.7 0.4
N20 A:9UO501 3.6 8.6 0.6
CG1 A:VAL297 3.6 15.4 1.0
CZ2 A:TRP164 3.7 14.1 1.0
N A:LEU298 3.7 18.3 1.0
CA A:LEU298 3.8 21.1 1.0
CB A:LEU298 3.9 24.4 1.0
CD1 A:LEU298 3.9 23.1 1.0
O A:VAL294 4.0 14.9 1.0
CB A:VAL297 4.1 13.4 1.0
C A:VAL297 4.2 17.4 1.0
CH2 A:TRP164 4.2 12.1 1.0
C08 A:9UO501 4.4 10.3 0.4
CG A:LEU298 4.6 25.0 1.0
N27 A:9UO501 4.6 10.1 0.4
C19 A:9UO501 4.6 10.0 0.6
O A:VAL297 4.7 13.9 1.0
N27 A:9UO501 4.8 10.5 0.6
CA A:VAL297 4.8 14.3 1.0
CE2 A:TRP164 4.8 12.9 1.0

Fluorine binding site 10 out of 12 in 6vfz

Go back to Fluorine Binding Sites List in 6vfz
Fluorine binding site 10 out of 12 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:16.3
occ:0.43
 F25 A:9UO501 0.0 16.3 0.4
F04 A:9UO501 0.5 15.8 0.6
C03 A:9UO501 1.2 14.6 0.6
C23 A:9UO501 1.4 15.0 0.4
F05 A:9UO501 1.8 15.4 0.6
F06 A:9UO501 2.1 17.0 0.6
F24 A:9UO501 2.2 14.7 0.4
F26 A:9UO501 2.2 15.3 0.4
C21 A:9UO501 2.4 14.8 0.4
C02 A:9UO501 2.4 15.9 0.6
N07 A:9UO501 2.9 15.4 0.6
N20 A:9UO501 3.0 13.3 0.4
N27 A:9UO501 3.3 10.1 0.4
C08 A:9UO501 3.4 12.5 0.6
N27 A:9UO501 3.4 10.5 0.6
C19 A:9UO501 3.5 12.4 0.4
O B:VAL294 3.5 12.7 1.0
CG2 A:ILE319 3.6 10.4 1.0
C01 A:9UO501 3.6 14.3 0.6
C22 A:9UO501 3.7 16.1 0.4
CD1 A:ILE319 3.8 16.7 1.0
CG1 A:ILE319 3.9 16.1 1.0
CB B:LEU298 4.0 14.5 1.0
CD1 B:LEU298 4.2 19.5 1.0
C B:VAL294 4.2 13.8 1.0
CB B:VAL294 4.3 16.1 1.0
N09 A:9UO501 4.4 10.8 0.6
CB A:ILE319 4.4 13.1 1.0
C19 A:9UO501 4.4 10.0 0.6
C08 A:9UO501 4.4 10.3 0.4
N B:LEU298 4.4 13.4 1.0
CA B:VAL294 4.5 14.5 1.0
CA B:LEU298 4.5 18.0 1.0
CG B:LEU298 4.5 20.0 1.0
N18 A:9UO501 4.6 10.7 0.4
C21 A:9UO501 4.7 12.2 0.6
C02 A:9UO501 4.8 12.4 0.4
CD2 B:LEU298 4.9 21.1 1.0
CG1 B:VAL294 4.9 15.7 1.0
N07 A:9UO501 5.0 10.7 0.4
CG1 B:VAL297 5.0 17.2 1.0

Reference:

Z.Konteatis, E.Artin, B.Nicolay, K.Straley, A.K.Padyana, L.Jin, Y.Chen, R.Narayaraswamy, S.Tong, F.Wang, D.Zhou, D.Cui, Z.Cai, Z.Luo, C.Fang, H.Tang, X.Lv, R.Nagaraja, H.Yang, S.M.Su, Z.Sui, L.Dang, K.Yen, J.Popovici-Muller, P.Codega, C.Campos, I.K.Mellinghoff, S.Biller. Vorasidenib (Ag-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 For Treatment of Glioma Acs Med.Chem.Lett. 2020.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.9B00509
Page generated: Fri Aug 2 03:01:23 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