Fluorine in PDB 7tzn: The Crystal Structure of Wt CYP199A4 Bound to 4-Fluorobenzoic Acid

The structure of The Crystal Structure of Wt CYP199A4 Bound to 4-Fluorobenzoic Acid, PDB code: 7tzn was solved by M.N.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 1.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.228, 51.338, 78.737, 90, 92.15, 90
R / Rfree (%)	19.8 / 22.5

The structure of The Crystal Structure of Wt CYP199A4 Bound to 4-Fluorobenzoic Acid also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the The Crystal Structure of Wt CYP199A4 Bound to 4-Fluorobenzoic Acid (pdb code 7tzn). 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 The Crystal Structure of Wt CYP199A4 Bound to 4-Fluorobenzoic Acid, PDB code: 7tzn:

Fluorine binding site 1 out of 1 in the The Crystal Structure of Wt CYP199A4 Bound to 4-Fluorobenzoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of Wt CYP199A4 Bound to 4-Fluorobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:21.8 occ:0.89 FAM A:1Y6501 0.0 21.8 0.9 CBI A:1Y6501 1.3 22.6 0.9 CAO A:1Y6501 2.3 20.0 0.9 CAN A:1Y6501 2.4 22.2 0.9 H28 A:1Y6501 2.5 24.0 0.9 H27 A:1Y6501 2.5 26.7 0.9 O A:HOH797 3.1 27.0 0.8 CZ A:PHE182 3.2 23.7 1.0 CE1 A:PHE182 3.3 23.0 1.0 CAQ A:1Y6501 3.6 23.6 0.9 CAP A:1Y6501 3.6 19.0 0.9 CZ A:PHE298 3.6 22.1 1.0 CB A:ALA248 3.9 25.9 1.0 CBJ A:1Y6501 4.1 21.8 0.9 CE2 A:PHE298 4.1 22.2 1.0 CE2 A:PHE182 4.3 25.8 1.0 H29 A:1Y6501 4.4 28.4 0.9 H26 A:1Y6501 4.4 22.8 0.9 NA A:HEM502 4.5 21.0 1.0 CD1 A:PHE182 4.5 23.8 1.0 CA A:ALA248 4.5 24.5 1.0 C1A A:HEM502 4.7 21.9 1.0 CE2 A:PHE185 4.7 23.5 1.0 CE1 A:PHE298 4.7 23.9 1.0 C4D A:HEM502 4.8 21.7 1.0 ND A:HEM502 4.9 22.3 1.0 CD2 A:LEU98 4.9 23.6 1.0 CHA A:HEM502 4.9 20.5 1.0 C4A A:HEM502 4.9 22.4 1.0 CG2 A:THR252 5.0 23.4 1.0 CZ A:PHE185 5.0 24.4 1.0 FE A:HEM502 5.0 22.9 1.0

M.N.Podgorski, S.G.Bell. The Crystal Structure of Wt CYP199A4 Bound to 4-Fluorobenzoic Acid To Be Published.