Fluorine in PDB 7ue6: PANK3 Complex Structure with Compound Pz-3802

All present enzymatic activity of PANK3 Complex Structure with Compound Pz-3802:
2.7.1.33;

The structure of PANK3 Complex Structure with Compound Pz-3802, PDB code: 7ue6 was solved by S.W.White, M.Yun, R.E.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.02 / 1.74
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.837, 97.837, 69.166, 90, 90, 120
R / Rfree (%)	17.9 / 20.5

The structure of PANK3 Complex Structure with Compound Pz-3802 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the PANK3 Complex Structure with Compound Pz-3802 (pdb code 7ue6). 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 PANK3 Complex Structure with Compound Pz-3802, PDB code: 7ue6:

Fluorine binding site 1 out of 1 in the PANK3 Complex Structure with Compound Pz-3802


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of PANK3 Complex Structure with Compound Pz-3802 within 5.0Å range: probe atom residue distance (Å) B Occ A:F405 b:33.4 occ:1.00 F01 A:NDK405 0.0 33.4 1.0 C26 A:NDK405 1.4 22.7 1.0 C25 A:NDK405 2.4 22.2 1.0 C04 A:NDK405 2.4 22.2 1.0 C02 A:NDK405 2.9 23.6 1.0 C01 A:NDK405 3.0 22.5 1.0 C03 A:NDK405 3.1 23.5 1.0 C07 A:NDK405 3.7 19.4 1.0 N07 A:NDK405 3.7 24.3 1.0 C06 A:NDK405 4.1 19.3 1.0 NH2 A:ARG207 4.6 17.5 1.0 C08 A:NDK405 4.9 18.6 1.0

R.Tangallapally, A.Edwards, C.Subramanian, L.K.Sharma, M.Yun, S.W.White, S.Jackowski, C.O.Rock, R.E.Lee. Discovery of Hpank Activators with Improved Pharmacological Properties To Be Published.