Fluorine in PDB 7ue8: PANK3 Complex Structure with Compound Pz-3890

All present enzymatic activity of PANK3 Complex Structure with Compound Pz-3890:
2.7.1.33;

The structure of PANK3 Complex Structure with Compound Pz-3890, PDB code: 7ue8 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)	32.26 / 2.01
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.571, 98.571, 68.941, 90, 90, 120
R / Rfree (%)	17.4 / 20

The structure of PANK3 Complex Structure with Compound Pz-3890 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the PANK3 Complex Structure with Compound Pz-3890 (pdb code 7ue8). 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-3890, PDB code: 7ue8:

Fluorine binding site 1 out of 1 in the PANK3 Complex Structure with Compound Pz-3890


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-3890 within 5.0Å range: probe atom residue distance (Å) B Occ A:F503 b:71.8 occ:1.00 F05 A:Y92503 0.0 71.8 1.0 C05 A:Y92503 1.4 60.1 1.0 C06 A:Y92503 2.4 47.0 1.0 C04 A:Y92503 2.4 56.3 1.0 C22 A:Y92503 2.8 56.7 1.0 N A:VAL194 2.9 27.2 1.0 C A:GLY193 3.2 40.0 1.0 O A:VAL194 3.3 28.4 1.0 C A:VAL194 3.3 29.8 1.0 CA A:GLY193 3.4 32.8 1.0 CA A:VAL194 3.6 29.2 1.0 C07 A:Y92503 3.7 49.8 1.0 C26 A:Y92503 3.7 50.2 1.0 O A:HOH674 3.7 58.6 1.0 OG A:SER195 3.7 38.9 1.0 N A:SER195 3.8 29.7 1.0 O A:GLY193 3.9 41.2 1.0 N A:GLY193 4.0 28.8 1.0 C24 A:Y92503 4.1 57.7 1.0 C25 A:Y92503 4.2 49.5 1.0 C23 A:Y92503 4.2 59.4 1.0 NH2 A:ARG207 4.2 36.3 1.0 O A:THR211 4.2 35.8 1.0 O1G A:ANP501 4.4 44.8 1.0 CA A:SER195 4.5 31.4 1.0 CB A:SER195 4.6 34.5 1.0 C08 A:Y92503 4.9 46.0 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.