Fluorine in PDB 8ho0: Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 8FCWP

The structure of Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 8FCWP, PDB code: 8ho0 was solved by B.D.Ma, W.Tian, X.Qu, X.D.Kong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.58 / 1.71
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.157, 106.741, 42.2, 90, 90, 90
R / Rfree (%)	18.2 / 21.7

The structure of Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 8FCWP also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Iron	(Fe)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 8FCWP (pdb code 8ho0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 8FCWP, PDB code: 8ho0:

Fluorine binding site 1 out of 1 in the Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 8FCWP


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 Cytochrome P450 NASF5053 Mutant E73S Complexed with 8FCWP within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:23.5 occ:1.00 F17 A:3ZI402 0.0 23.5 1.0 C16 A:3ZI402 1.4 18.7 1.0 C18 A:3ZI402 2.4 21.8 1.0 C15 A:3ZI402 2.4 18.7 1.0 N14 A:3ZI402 3.0 19.0 1.0 CHD A:HEM401 3.2 17.8 1.0 CD2 A:LEU283 3.3 24.6 1.0 O A:HOH543 3.3 21.1 1.0 O A:HOH653 3.4 22.3 1.0 CAC A:HEM401 3.5 19.3 1.0 C21 A:3ZI402 3.6 19.3 1.0 C19 A:3ZI402 3.7 22.7 1.0 C4C A:HEM401 3.8 16.4 1.0 C1D A:HEM401 3.8 18.0 1.0 CMD A:HEM401 3.9 18.8 1.0 C3C A:HEM401 4.0 15.1 1.0 CG A:LEU283 4.1 18.6 1.0 C2D A:HEM401 4.1 18.6 1.0 C20 A:3ZI402 4.2 18.1 1.0 O A:GLY340 4.3 19.5 1.0 C13 A:3ZI402 4.3 16.2 1.0 CE1 A:PHE388 4.3 18.4 1.0 CB A:LEU283 4.4 20.7 1.0 CBC A:HEM401 4.5 31.3 1.0 CD1 A:PHE388 4.6 21.1 1.0 C12 A:3ZI402 4.6 20.5 1.0 CB A:SER284 4.9 17.9 1.0 CG2 A:THR241 4.9 20.0 1.0 NC A:HEM401 4.9 16.3 1.0 ND A:HEM401 4.9 15.8 1.0 CD1 A:LEU313 4.9 20.6 1.0 N A:SER284 5.0 17.9 1.0

W.Tian, B.D.Ma, X.D.Kong, X.Qu. Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 8FCWP To Be Published.