Fluorine in PDB 4bb0: Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa.

The structure of Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa., PDB code: 4bb0 was solved by J.W.Schmidberger, R.Schnell, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.16 / 1.77
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.242, 83.242, 140.541, 90.00, 90.00, 90.00
R / Rfree (%)	15.092 / 21.522

The binding sites of Fluorine atom in the Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa. (pdb code 4bb0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa., PDB code: 4bb0:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in the Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1311 b:42.2 occ:1.00 F A:FAH1311 0.0 42.2 1.0 CH3 A:FAH1311 1.4 31.8 1.0 C A:FAH1311 2.5 30.4 1.0 OXT A:FAH1311 2.8 20.5 1.0 C A:THR131 3.0 23.5 1.0 CA A:THR131 3.0 20.8 1.0 CB A:TRP243 3.0 18.0 1.0 O A:THR131 3.3 24.7 1.0 N A:VAL132 3.4 17.3 1.0 O A:FAH1311 3.6 39.4 1.0 CA A:TRP243 3.6 18.2 1.0 N A:THR131 3.7 19.2 1.0 CG A:PRO254 3.8 23.3 1.0 O A:LEU242 3.9 18.7 1.0 CB A:PRO254 4.0 18.4 1.0 CG2 A:VAL241 4.1 17.8 1.0 CB A:THR131 4.3 20.9 1.0 CA A:VAL132 4.3 15.3 1.0 N A:TRP243 4.4 16.1 1.0 CG A:TRP243 4.4 17.6 1.0 C A:LEU242 4.4 14.8 1.0 C A:VAL132 4.5 16.5 1.0 O A:VAL132 4.5 21.6 1.0 OH A:TYR248 4.5 21.3 1.0 O A:HOH2248 4.6 33.1 1.0 N A:GLU244 4.7 19.6 1.0 C A:TRP243 4.7 17.2 1.0 C A:LEU130 4.9 17.9 1.0 CG2 A:THR131 4.9 25.5 1.0

Fluorine binding site 2 out of 5 in the Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1312 b:46.2 occ:0.90 F A:FAH1312 0.0 46.2 0.9 CH3 A:FAH1312 1.4 40.5 0.9 C A:FAH1312 2.4 46.8 0.9 OXT A:FAH1312 2.6 48.3 0.9 CD A:ARG165 3.3 37.8 1.0 O A:FAH1312 3.5 48.9 0.9 NE A:ARG165 3.7 37.0 1.0 OD1 A:ASP161 3.7 28.5 1.0 CA A:LEU162 3.8 20.6 1.0 N A:LEU162 4.0 19.8 1.0 CD2 A:LEU162 4.1 23.0 1.0 CB A:LEU162 4.1 21.4 1.0 C A:ASP161 4.4 20.4 1.0 O A:ASP161 4.5 20.0 1.0 CZ A:ARG165 4.6 36.5 1.0 CG A:ARG165 4.7 26.8 1.0 CG A:ASP161 4.7 29.6 1.0 CG A:LEU162 4.7 21.1 1.0 C A:LEU162 5.0 19.3 1.0 O A:HOH2144 5.0 40.4 1.0 CB A:ARG165 5.0 25.5 1.0

Fluorine binding site 3 out of 5 in the Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1313 b:40.0 occ:1.00 F A:FAH1313 0.0 40.0 1.0 CH3 A:FAH1313 1.4 28.0 1.0 C A:FAH1313 2.4 34.6 1.0 OXT A:FAH1313 2.5 25.6 1.0 O A:HOH2249 3.3 28.5 1.0 CD2 A:TYR189 3.3 13.8 1.0 O A:FAH1313 3.5 40.0 1.0 O A:HOH2250 3.9 46.9 1.0 CD1 A:LEU194 3.9 17.9 1.0 CE2 A:TYR189 3.9 15.1 1.0 CD2 A:LEU194 4.0 22.8 1.0 CB A:LEU179 4.0 17.1 1.0 CG A:TYR189 4.1 13.0 1.0 CB A:TYR189 4.3 15.9 1.0 CD1 A:LEU179 4.4 23.5 1.0 CG A:ARG180 4.4 22.8 1.0 O A:HOH2169 4.4 29.3 1.0 O A:ASP176 4.6 17.8 1.0 CG A:LEU194 4.6 17.5 1.0 N A:ARG180 4.7 16.5 1.0 O A:HOH2167 4.8 28.2 1.0 CG A:LEU179 4.9 21.1 1.0 CA A:ASP176 5.0 20.9 1.0 C A:LEU179 5.0 16.8 1.0

Fluorine binding site 4 out of 5 in the Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1314 b:49.5 occ:0.70 F A:FAH1314 0.0 49.5 0.7 CH3 A:FAH1314 1.4 39.4 0.7 C A:FAH1314 2.5 36.1 0.7 O A:FAH1314 2.6 57.9 0.7 NE A:ARG180 3.5 35.0 1.0 OXT A:FAH1314 3.7 35.3 0.7 CD A:ARG180 3.9 29.5 1.0 CZ A:ARG180 4.4 31.6 1.0 O A:HOH2160 4.6 49.2 1.0 NH2 A:ARG180 4.7 32.1 1.0 O A:HOH2165 4.7 36.6 1.0

Fluorine binding site 5 out of 5 in the Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of A Putative Epoxide Hydrolase Q244E Mutant From Pseudomonas Aeruginosa, with Bound Mfa. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1315 b:57.5 occ:0.90 F A:FAH1315 0.0 57.5 0.9 CH3 A:FAH1315 1.5 25.5 0.9 C A:FAH1315 2.5 32.0 0.9 O A:FAH1315 2.7 44.9 0.9 OXT A:FAH1315 3.6 34.0 0.9 CE A:MET182 4.0 36.1 1.0 CG A:MET182 4.1 19.5 1.0 O A:HOH2139 4.1 39.0 1.0 CD2 A:HIS274 4.2 28.2 1.0 CG A:HIS274 4.3 24.0 1.0 NE2 A:HIS274 4.4 24.4 1.0 CE1 A:HIS152 4.5 19.5 1.0 ND1 A:HIS274 4.6 26.1 1.0 CE1 A:HIS274 4.6 27.3 1.0 SD A:MET182 4.7 27.2 1.0 CB A:HIS274 4.7 18.7 1.0 O A:HOH2215 4.8 41.2 1.0 O A:HOH2133 4.9 40.3 1.0 NE2 A:HIS152 4.9 18.7 1.0

J.W.Schmidberger, R.Schnell, G.Schneider. Structure of A Putative Epoxide Hydrolase Mutant To Be Published.