Fluorine in PDB 6juu: Crystal Structure of Zak in Complex with Compound 6R

All present enzymatic activity of Crystal Structure of Zak in Complex with Compound 6R:
2.7.11.25;

The structure of Crystal Structure of Zak in Complex with Compound 6R, PDB code: 6juu was solved by L.L.Kong, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.43 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.806, 48.509, 42.489, 90.00, 105.21, 90.00
R / Rfree (%)	16.6 / 21

The binding sites of Fluorine atom in the Crystal Structure of Zak in Complex with Compound 6R (pdb code 6juu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Zak in Complex with Compound 6R, PDB code: 6juu:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Zak in Complex with Compound 6R


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 Zak in Complex with Compound 6R within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:15.1 occ:1.00 F01 A:C9R401 0.0 15.1 1.0 C02 A:C9R401 1.4 13.6 1.0 C03 A:C9R401 2.3 11.6 1.0 C22 A:C9R401 2.4 14.4 1.0 N04 A:C9R401 2.6 13.8 1.0 N23 A:C9R401 2.7 14.4 1.0 N24 A:C9R401 2.8 15.3 1.0 N A:ASP151 3.0 10.6 1.0 CB A:CYS150 3.0 9.0 1.0 CA A:CYS150 3.4 10.4 1.0 C18 A:C9R401 3.6 13.2 1.0 C A:CYS150 3.6 12.1 1.0 C20 A:C9R401 3.6 12.7 1.0 C38 A:C9R401 3.7 10.3 1.0 SG A:CYS150 3.7 12.8 1.0 N25 A:C9R401 3.9 16.2 1.0 CG2 A:ILE66 3.9 8.5 1.0 CA A:ASP151 3.9 12.2 1.0 C19 A:C9R401 4.1 12.7 1.0 CE A:LYS45 4.2 18.9 1.0 S05 A:C9R401 4.2 16.1 1.0 C26 A:C9R401 4.3 11.9 1.0 OD1 A:ASP151 4.3 28.0 1.0 CB A:ASP151 4.5 14.4 1.0 F21 A:C9R401 4.7 12.7 1.0 CB A:ILE66 4.7 10.5 1.0 O A:CYS150 4.8 12.6 1.0 N A:CYS150 4.8 9.0 1.0 CG A:ASP151 4.8 23.8 1.0 NZ A:LYS45 4.8 18.1 1.0 O16 A:C9R401 4.9 15.5 1.0 O17 A:C9R401 4.9 15.2 1.0 C07 A:C9R401 4.9 12.6 1.0 CG1 A:ILE66 5.0 10.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Zak in Complex with Compound 6R


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 Zak in Complex with Compound 6R within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:12.7 occ:1.00 F21 A:C9R401 0.0 12.7 1.0 C20 A:C9R401 1.4 12.7 1.0 C22 A:C9R401 2.3 14.4 1.0 C19 A:C9R401 2.4 12.7 1.0 N23 A:C9R401 2.8 14.4 1.0 C38 A:C9R401 3.1 10.3 1.0 N A:LYS45 3.4 12.8 1.0 OG1 A:THR82 3.5 14.4 1.0 O A:ALA43 3.5 12.0 1.0 CB A:ALA43 3.6 9.0 1.0 C A:ALA43 3.6 13.6 1.0 C02 A:C9R401 3.6 13.6 1.0 CB A:LYS45 3.6 11.7 1.0 C18 A:C9R401 3.7 13.2 1.0 O A:ILE80 3.8 10.8 1.0 N24 A:C9R401 3.8 15.3 1.0 N A:VAL44 3.8 11.7 1.0 C A:VAL44 3.8 14.2 1.0 CG2 A:THR82 4.0 9.3 1.0 CG1 A:VAL30 4.0 12.9 1.0 CA A:LYS45 4.0 14.5 1.0 CA A:VAL44 4.1 10.8 1.0 C03 A:C9R401 4.1 11.6 1.0 C26 A:C9R401 4.2 11.9 1.0 CA A:ALA43 4.2 13.8 1.0 CB A:THR82 4.3 11.3 1.0 CG2 A:VAL30 4.3 17.8 1.0 N A:THR82 4.4 9.8 1.0 N25 A:C9R401 4.5 16.2 1.0 O A:VAL44 4.6 15.9 1.0 C A:ILE80 4.7 12.6 1.0 F01 A:C9R401 4.7 15.1 1.0 CE A:LYS45 4.7 18.9 1.0 CB A:VAL30 4.8 16.0 1.0 CA A:THR82 4.9 11.8 1.0 CG A:LYS45 4.9 16.9 1.0 C A:VAL81 5.0 13.5 1.0

L.L.Kong, C.H.Yun. Crystal Structure of Zak in Complex with Compound 6R To Be Published.