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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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