Fluorine in PDB 4qbj: Crystal Structure of N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor

All present enzymatic activity of Crystal Structure of N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor:
2.3.1.97;

The structure of Crystal Structure of N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor, PDB code: 4qbj was solved by M.Suzuki, T.Shimada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.792, 77.074, 113.237, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.7

The binding sites of Fluorine atom in the Crystal Structure of N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor (pdb code 4qbj). 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 N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor, PDB code: 4qbj:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic 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 N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F505 b:57.0 occ:1.00 FAB A:2XQ505 0.0 57.0 1.0 CAY A:2XQ505 1.4 61.2 1.0 CAJ A:2XQ505 2.4 70.1 1.0 CBA A:2XQ505 2.4 64.6 1.0 FAC A:2XQ505 2.9 70.4 1.0 CG1 A:VAL432 3.3 17.6 1.0 CG1 A:VAL389 3.5 27.3 1.0 CBB A:2XQ505 3.6 60.8 1.0 CAK A:2XQ505 3.6 69.1 1.0 CD1 A:PHE278 3.7 43.8 1.0 CE1 A:PHE278 3.7 48.3 1.0 CD2 A:LEU273 3.8 26.9 1.0 CB A:VAL432 4.0 19.6 1.0 CBC A:2XQ505 4.1 57.1 1.0 CG2 A:VAL432 4.2 18.4 1.0 CG A:PHE278 4.3 34.7 1.0 CZ A:PHE278 4.3 42.9 1.0 CB A:VAL389 4.5 30.6 1.0 FAD A:2XQ505 4.7 77.2 1.0 CG2 A:VAL389 4.8 32.1 1.0 CD2 A:PHE278 4.8 42.4 1.0 CE2 A:PHE278 4.8 41.6 1.0 CB A:PHE278 4.9 30.8 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic 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 N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F505 b:70.4 occ:1.00 FAC A:2XQ505 0.0 70.4 1.0 CBA A:2XQ505 1.4 64.6 1.0 CBB A:2XQ505 2.3 60.8 1.0 CAY A:2XQ505 2.4 61.2 1.0 FAD A:2XQ505 2.6 77.2 1.0 FAB A:2XQ505 2.9 57.0 1.0 CG1 A:VAL389 3.4 27.3 1.0 CB A:SER378 3.6 26.4 1.0 CBC A:2XQ505 3.6 57.1 1.0 OG A:SER378 3.6 31.1 1.0 CAJ A:2XQ505 3.7 70.1 1.0 CB A:VAL389 3.8 30.6 1.0 CB A:ALA391 3.9 23.0 1.0 O A:HOH609 4.0 31.0 1.0 CAK A:2XQ505 4.2 69.1 1.0 CG1 A:VAL432 4.3 17.6 1.0 O A:VAL389 4.6 29.6 1.0 CG2 A:VAL389 4.7 32.1 1.0 OAV A:2XQ505 4.7 54.7 1.0 C A:VAL389 4.9 30.2 1.0 CA A:SER378 4.9 27.5 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic 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 N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F505 b:77.2 occ:1.00 FAD A:2XQ505 0.0 77.2 1.0 CBB A:2XQ505 1.4 60.8 1.0 CBA A:2XQ505 2.3 64.6 1.0 CBC A:2XQ505 2.4 57.1 1.0 FAC A:2XQ505 2.6 70.4 1.0 OAV A:2XQ505 2.8 54.7 1.0 OG A:SER378 3.2 31.1 1.0 O A:HOH609 3.3 31.0 1.0 O A:HOH637 3.3 44.5 1.0 OH A:TYR393 3.4 29.1 1.0 CAY A:2XQ505 3.6 61.2 1.0 CAK A:2XQ505 3.6 69.1 1.0 CB A:SER378 4.0 26.4 1.0 CAJ A:2XQ505 4.1 70.1 1.0 CAR A:2XQ505 4.1 45.7 1.0 CE1 A:PHE157 4.5 30.7 1.0 ND2 A:ASN434 4.6 26.8 1.0 CBE A:2XQ505 4.7 38.0 1.0 CZ A:TYR393 4.7 29.6 1.0 FAB A:2XQ505 4.7 57.0 1.0 CB A:ALA391 4.9 23.0 1.0 CAZ A:2XQ505 5.0 39.0 1.0

T.Shimada, M.Suzuki, S.Katakura. Crystal Structure of N-Myristoyl Transferase From Aspergillus Fumigatus Comlexed with A Synthetic Inhibitor To Be Published.