Fluorine in PDB 8t7o: Crystal Structure of the R132H Mutant of IDH1 Bound to Ag-120

All present enzymatic activity of Crystal Structure of the R132H Mutant of IDH1 Bound to Ag-120:
1.1.1.42;

The structure of Crystal Structure of the R132H Mutant of IDH1 Bound to Ag-120, PDB code: 8t7o was solved by J.Lu, P.Abeywickrema, M.R.Heo, G.Parthasarathy, M.Mccoy, S.M.Soisson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.37 / 2.05
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.445, 79.445, 305.312, 90, 90, 90
R / Rfree (%)	22.4 / 25.5

The structure of Crystal Structure of the R132H Mutant of IDH1 Bound to Ag-120 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of the R132H Mutant of IDH1 Bound to Ag-120 (pdb code 8t7o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the R132H Mutant of IDH1 Bound to Ag-120, PDB code: 8t7o:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the R132H Mutant of IDH1 Bound to Ag-120


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 the R132H Mutant of IDH1 Bound to Ag-120 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:72.9 occ:1.00 F2 A:IV3502 0.0 72.9 1.0 C14 A:IV3502 1.4 72.9 1.0 C15 A:IV3502 2.3 73.0 1.0 C13 A:IV3502 2.4 73.0 1.0 CZ3 B:TRP267 3.5 47.2 1.0 CG2 B:ILE128 3.6 52.2 1.0 CD1 B:ILE130 3.6 48.4 1.0 N2 A:IV3502 3.6 72.9 1.0 C11 A:IV3502 3.6 73.3 1.0 CE3 B:TRP267 3.6 46.7 1.0 CD1 B:ILE128 3.9 53.9 1.0 C12 A:IV3502 4.0 73.0 1.0 CB B:ILE128 4.3 52.0 1.0 CH2 B:TRP124 4.3 59.5 1.0 CZ2 B:TRP124 4.4 59.4 1.0 CG1 B:ILE130 4.4 47.1 1.0 CG1 B:ILE128 4.7 52.8 1.0 CH2 B:TRP267 4.7 47.4 1.0 N4 A:IV3502 4.7 77.5 1.0 C22 A:IV3502 4.8 77.7 1.0 N1 A:IV3502 4.8 74.0 1.0 C10 A:IV3502 4.8 71.8 1.0 CD2 B:TRP267 4.9 46.3 1.0 CL A:IV3502 4.9 70.6 1.0 CB B:ALA258 5.0 61.4 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the R132H Mutant of IDH1 Bound to Ag-120


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 the R132H Mutant of IDH1 Bound to Ag-120 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:72.5 occ:1.00 F1 A:IV3502 0.0 72.5 1.0 C A:IV3502 1.4 73.0 1.0 F A:IV3502 2.2 73.1 1.0 C1 A:IV3502 2.5 73.3 1.0 C27 A:IV3502 2.5 73.2 1.0 CB A:GLN277 3.0 88.8 1.0 C2 A:IV3502 3.1 73.5 1.0 O A:GLN277 3.1 85.9 1.0 CA A:GLN277 3.4 87.3 1.0 C A:GLN277 3.5 86.0 1.0 N A:IV3502 3.5 73.7 1.0 OG A:SER280 3.6 81.6 1.0 CG2 A:VAL281 3.6 77.9 1.0 CG A:GLN277 3.8 92.5 1.0 CH2 A:TRP267 4.2 56.9 1.0 CZ3 A:TRP267 4.3 56.6 1.0 C3 A:IV3502 4.5 73.6 1.0 N A:SER278 4.6 84.6 1.0 CG1 A:VAL255 4.6 72.9 1.0 CB A:VAL255 4.7 72.4 1.0 N A:GLN277 4.9 88.0 1.0 CB A:VAL281 5.0 77.8 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the R132H Mutant of IDH1 Bound to Ag-120


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 the R132H Mutant of IDH1 Bound to Ag-120 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:73.1 occ:1.00 F A:IV3502 0.0 73.1 1.0 C A:IV3502 1.4 73.0 1.0 F1 A:IV3502 2.2 72.5 1.0 C1 A:IV3502 2.4 73.3 1.0 C27 A:IV3502 2.5 73.2 1.0 C2 A:IV3502 3.3 73.5 1.0 CB A:ALA258 3.7 70.9 1.0 O A:VAL255 3.8 71.8 1.0 CZ3 A:TRP267 3.9 56.6 1.0 CG2 A:VAL281 3.9 77.9 1.0 CH2 A:TRP267 4.2 56.9 1.0 CA A:VAL255 4.3 71.1 1.0 CG A:MET259 4.4 74.2 1.0 N A:IV3502 4.5 73.7 1.0 C A:VAL255 4.6 71.4 1.0 CB A:VAL255 4.6 72.4 1.0 C A:ALA258 4.7 70.8 1.0 CZ2 A:TRP124 4.8 65.2 1.0 SD A:MET259 4.8 80.5 1.0 CA A:ALA258 4.8 71.0 1.0 N A:MET259 4.8 70.3 1.0 CG1 A:VAL255 5.0 72.9 1.0 CB A:GLN277 5.0 88.8 1.0

M.A.Mccoy, J.Lu, R.Miller, S.M.Soisson, M.H.Lam, C.Fischer. Mechanistic and Biostructural Studies of Mutant IDH1 To Be Published.