Fluorine in PDB 4jsx: Structure of Mtordeltan-MLST8-TORIN2 Complex

All present enzymatic activity of Structure of Mtordeltan-MLST8-TORIN2 Complex:
2.7.11.1;

The structure of Structure of Mtordeltan-MLST8-TORIN2 Complex, PDB code: 4jsx was solved by N.P.Pavletich, H.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.67 / 3.50
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	139.400, 163.200, 207.800, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 25.7

The binding sites of Fluorine atom in the Structure of Mtordeltan-MLST8-TORIN2 Complex (pdb code 4jsx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of Mtordeltan-MLST8-TORIN2 Complex, PDB code: 4jsx:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Structure of Mtordeltan-MLST8-TORIN2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Mtordeltan-MLST8-TORIN2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F2601 b:37.5 occ:1.00 F3 B:17G2601 0.0 37.5 1.0 C24 B:17G2601 1.3 37.4 1.0 F1 B:17G2601 2.2 37.7 1.0 F2 B:17G2601 2.2 37.8 1.0 C16 B:17G2601 2.3 36.9 1.0 C15 B:17G2601 3.0 36.7 1.0 C20 B:17G2601 3.3 37.1 1.0 CD2 B:LEU2185 3.4 47.4 1.0 C38 B:17G2601 3.6 36.9 1.0 C40 B:17G2601 3.8 36.4 1.0 CG B:PRO2169 4.0 54.8 1.0 CE B:LYS2187 4.2 61.5 1.0 CG B:LEU2185 4.2 47.5 1.0 C18 B:17G2601 4.3 36.8 1.0 C19 B:17G2601 4.5 37.4 1.0 C37 B:17G2601 4.5 37.1 1.0 CB B:PRO2169 4.6 54.7 1.0 C30 B:17G2601 4.7 37.2 1.0 CD1 B:LEU2185 4.8 47.7 1.0 C41 B:17G2601 4.8 36.5 1.0 C21 B:17G2601 4.9 37.3 1.0 C33 B:17G2601 4.9 37.1 1.0

Fluorine binding site 2 out of 6 in the Structure of Mtordeltan-MLST8-TORIN2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Mtordeltan-MLST8-TORIN2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F2601 b:37.8 occ:1.00 F2 B:17G2601 0.0 37.8 1.0 C24 B:17G2601 1.3 37.4 1.0 F3 B:17G2601 2.2 37.5 1.0 F1 B:17G2601 2.2 37.7 1.0 C16 B:17G2601 2.3 36.9 1.0 C15 B:17G2601 2.9 36.7 1.0 C20 B:17G2601 3.5 37.1 1.0 CG2 B:ILE2163 3.9 67.9 1.0 CG B:PRO2169 4.0 54.8 1.0 C18 B:17G2601 4.2 36.8 1.0 CB B:ILE2163 4.6 67.6 1.0 C19 B:17G2601 4.7 37.4 1.0 CD B:PRO2169 4.7 55.8 1.0 CB B:SER2165 4.9 71.2 1.0 C21 B:17G2601 4.9 37.3 1.0 CG1 B:ILE2163 5.0 67.5 1.0

Fluorine binding site 3 out of 6 in the Structure of Mtordeltan-MLST8-TORIN2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Mtordeltan-MLST8-TORIN2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F2601 b:37.7 occ:1.00 F1 B:17G2601 0.0 37.7 1.0 C24 B:17G2601 1.3 37.4 1.0 F3 B:17G2601 2.2 37.5 1.0 F2 B:17G2601 2.2 37.8 1.0 C16 B:17G2601 2.3 36.9 1.0 C20 B:17G2601 2.6 37.1 1.0 CD2 B:LEU2185 3.5 47.4 1.0 C15 B:17G2601 3.6 36.7 1.0 CD1 B:LEU2185 4.0 47.7 1.0 CG1 B:ILE2163 4.0 67.5 1.0 C19 B:17G2601 4.0 37.4 1.0 CG B:LEU2185 4.1 47.5 1.0 CG2 B:ILE2163 4.1 67.9 1.0 CG B:PRO2169 4.1 54.8 1.0 CZ3 B:TRP2239 4.3 38.5 1.0 CB B:ILE2163 4.4 67.6 1.0 CD1 B:ILE2163 4.6 67.5 1.0 CH2 B:TRP2239 4.7 38.5 1.0 C18 B:17G2601 4.7 36.8 1.0 N8 B:17G2601 4.8 37.6 1.0 C21 B:17G2601 4.9 37.3 1.0 CB B:PRO2169 5.0 54.7 1.0 C30 B:17G2601 5.0 37.2 1.0

Fluorine binding site 4 out of 6 in the Structure of Mtordeltan-MLST8-TORIN2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Mtordeltan-MLST8-TORIN2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F2601 b:44.3 occ:1.00 F3 A:17G2601 0.0 44.3 1.0 C24 A:17G2601 1.3 43.9 1.0 F2 A:17G2601 2.1 44.1 1.0 F1 A:17G2601 2.2 44.2 1.0 C16 A:17G2601 2.3 42.8 1.0 C15 A:17G2601 2.9 42.7 1.0 C20 A:17G2601 3.4 41.5 1.0 CD2 A:LEU2185 3.7 60.3 1.0 C38 A:17G2601 3.8 38.5 1.0 CG A:PRO2169 3.9 70.5 1.0 C40 A:17G2601 3.9 38.2 1.0 C18 A:17G2601 4.2 42.4 1.0 CE A:LYS2187 4.3 69.9 1.0 CG A:LEU2185 4.5 59.1 1.0 C19 A:17G2601 4.6 41.0 1.0 CB A:PRO2169 4.7 70.5 1.0 C37 A:17G2601 4.7 38.6 1.0 C30 A:17G2601 4.9 40.0 1.0 C21 A:17G2601 4.9 41.6 1.0

Fluorine binding site 5 out of 6 in the Structure of Mtordeltan-MLST8-TORIN2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Mtordeltan-MLST8-TORIN2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F2601 b:44.1 occ:1.00 F2 A:17G2601 0.0 44.1 1.0 C24 A:17G2601 1.3 43.9 1.0 F3 A:17G2601 2.1 44.3 1.0 F1 A:17G2601 2.2 44.2 1.0 C16 A:17G2601 2.3 42.8 1.0 C15 A:17G2601 2.9 42.7 1.0 C20 A:17G2601 3.5 41.5 1.0 CG2 A:ILE2163 3.7 77.9 1.0 CG A:PRO2169 4.0 70.5 1.0 C18 A:17G2601 4.2 42.4 1.0 CB A:ILE2163 4.5 77.2 1.0 C19 A:17G2601 4.7 41.0 1.0 CD A:PRO2169 4.8 71.3 1.0 CB A:SER2165 4.8 86.2 1.0 CG1 A:ILE2163 4.9 76.3 1.0 C21 A:17G2601 5.0 41.6 1.0 OG A:SER2165 5.0 85.5 1.0

Fluorine binding site 6 out of 6 in the Structure of Mtordeltan-MLST8-TORIN2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Mtordeltan-MLST8-TORIN2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F2601 b:44.2 occ:1.00 F1 A:17G2601 0.0 44.2 1.0 C24 A:17G2601 1.3 43.9 1.0 F3 A:17G2601 2.2 44.3 1.0 F2 A:17G2601 2.2 44.1 1.0 C16 A:17G2601 2.3 42.8 1.0 C20 A:17G2601 2.7 41.5 1.0 CD2 A:LEU2185 3.4 60.3 1.0 C15 A:17G2601 3.6 42.7 1.0 CD1 A:LEU2185 3.9 58.4 1.0 CG1 A:ILE2163 4.0 76.3 1.0 CG A:PRO2169 4.0 70.5 1.0 CG A:LEU2185 4.0 59.1 1.0 C19 A:17G2601 4.1 41.0 1.0 CG2 A:ILE2163 4.1 77.9 1.0 CB A:ILE2163 4.3 77.2 1.0 CZ3 A:TRP2239 4.4 42.5 1.0 CD1 A:ILE2163 4.6 75.9 1.0 C18 A:17G2601 4.7 42.4 1.0 CH2 A:TRP2239 4.7 42.6 1.0 CB A:PRO2169 4.8 70.5 1.0 N8 A:17G2601 4.9 40.8 1.0 C21 A:17G2601 4.9 41.6 1.0 C30 A:17G2601 5.0 40.0 1.0

H.Yang, D.G.Rudge, J.D.Koos, B.Vaidialingam, H.J.Yang, N.P.Pavletich. Mtor Kinase Structure, Mechanism and Regulation. Nature V. 497 217 2013.
ISSN: ISSN 0028-0836
PubMed: 23636326
DOI: 10.1038/NATURE12122