Fluorine in PDB 8q8g: Crystal Structure of Hsrnmt Complexed with Inhibitor DDD1870799

All present enzymatic activity of Crystal Structure of Hsrnmt Complexed with Inhibitor DDD1870799:
2.1.1.56;

The structure of Crystal Structure of Hsrnmt Complexed with Inhibitor DDD1870799, PDB code: 8q8g was solved by A.P.Petit, P.K.Fyfe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.17 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.977, 84.336, 81.99, 90, 96.88, 90
R / Rfree (%)	19.6 / 26

The binding sites of Fluorine atom in the Crystal Structure of Hsrnmt Complexed with Inhibitor DDD1870799 (pdb code 8q8g). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Hsrnmt Complexed with Inhibitor DDD1870799, PDB code: 8q8g:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Hsrnmt Complexed with Inhibitor DDD1870799


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 Hsrnmt Complexed with Inhibitor DDD1870799 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:47.7 occ:1.00 F26 A:O94502 0.0 47.7 1.0 C23 A:O94502 1.4 42.6 1.0 C22 A:O94502 2.4 41.0 1.0 C24 A:O94502 2.4 40.3 1.0 CD1 A:LEU172 3.1 30.9 1.0 CB A:ALA463 3.4 32.4 1.0 C21 A:O94502 3.6 35.9 1.0 CD1 A:LEU362 3.7 28.8 1.0 C25 A:O94502 3.7 35.6 1.0 CG A:LEU172 4.0 31.3 1.0 CD2 A:LEU172 4.0 32.6 1.0 C20 A:O94502 4.2 36.8 1.0 C A:ALA463 4.3 32.9 1.0 O A:ALA463 4.4 28.1 1.0 CB A:LEU172 4.4 32.7 1.0 CG2 A:ILE340 4.4 39.7 1.0 CA A:ALA463 4.5 31.6 1.0 N A:THR464 4.6 27.4 1.0 CD2 A:LEU362 4.7 35.1 1.0 CG A:LEU362 4.8 41.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Hsrnmt Complexed with Inhibitor DDD1870799


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 Hsrnmt Complexed with Inhibitor DDD1870799 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:52.9 occ:1.00 F26 B:O94502 0.0 52.9 1.0 C23 B:O94502 1.4 40.6 1.0 C22 B:O94502 2.4 32.7 1.0 C24 B:O94502 2.4 33.5 1.0 CD1 B:LEU172 3.3 34.4 1.0 CD1 B:LEU362 3.4 44.8 1.0 C21 B:O94502 3.6 37.7 1.0 C25 B:O94502 3.6 39.5 1.0 CB B:ALA463 3.7 31.2 1.0 C20 B:O94502 4.1 38.7 1.0 CD2 B:LEU172 4.2 39.4 1.0 CG B:LEU172 4.2 34.1 1.0 CZ B:PHE360 4.5 41.1 1.0 O B:ALA463 4.5 28.8 1.0 CG2 B:ILE340 4.6 38.2 1.0 C B:ALA463 4.6 33.5 1.0 CB B:LEU172 4.6 23.8 1.0 CG B:LEU362 4.7 45.8 1.0 CA B:ALA463 4.7 32.8 1.0 CD2 B:LEU362 4.9 42.3 1.0

A.P.Petit, P.K.Fyfe. Structure-Guided Design of Hsrnmt Inhibitors To Be Published.