Fluorine in PDB 1frb: Fr-1 Protein/Nadph/Zopolrestat Complex

The structure of Fr-1 Protein/Nadph/Zopolrestat Complex, PDB code: 1frb was solved by D.K.Wilson, F.A.Quiocho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.450, 65.380, 90.290, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / n/a

The binding sites of Fluorine atom in the Fr-1 Protein/Nadph/Zopolrestat Complex (pdb code 1frb). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Fr-1 Protein/Nadph/Zopolrestat Complex, PDB code: 1frb:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Fr-1 Protein/Nadph/Zopolrestat Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fr-1 Protein/Nadph/Zopolrestat Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F351 b:9.2 occ:1.00 F1 A:ZST351 0.0 9.2 1.0 C19 A:ZST351 1.3 11.3 1.0 F3 A:ZST351 2.1 12.1 1.0 F2 A:ZST351 2.1 12.6 1.0 C15 A:ZST351 2.4 9.1 1.0 C14 A:ZST351 3.0 8.2 1.0 C16 A:ZST351 3.4 7.5 1.0 CE3 A:TRP111 3.5 2.9 1.0 CB A:GLN113 3.8 5.9 1.0 CB A:TRP111 3.8 3.6 1.0 CD A:PRO112 4.0 4.0 1.0 CD2 A:TRP111 4.1 2.9 1.0 N A:GLN113 4.1 5.3 1.0 CD A:PRO310 4.2 3.6 1.0 C13 A:ZST351 4.2 7.8 1.0 CG A:TRP111 4.3 4.2 1.0 CZ3 A:TRP111 4.3 2.6 1.0 N A:PRO112 4.4 5.3 1.0 CG A:PRO112 4.5 4.0 1.0 C12 A:ZST351 4.5 6.7 1.0 CA A:GLN113 4.6 5.8 1.0 O A:GLU308 4.7 6.0 1.0 CA A:TRP111 4.7 3.4 1.0 CG A:PRO310 4.8 4.1 1.0 C A:TRP111 4.8 3.9 1.0 C11 A:ZST351 4.9 7.4 1.0 CG A:GLN113 5.0 5.3 1.0 CA A:TYR309 5.0 4.7 1.0

Fluorine binding site 2 out of 3 in the Fr-1 Protein/Nadph/Zopolrestat Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Fr-1 Protein/Nadph/Zopolrestat Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F351 b:12.6 occ:1.00 F2 A:ZST351 0.0 12.6 1.0 C19 A:ZST351 1.3 11.3 1.0 F3 A:ZST351 2.1 12.1 1.0 F1 A:ZST351 2.1 9.2 1.0 C15 A:ZST351 2.3 9.1 1.0 C14 A:ZST351 2.9 8.2 1.0 SD A:MET306 3.4 11.1 1.0 C16 A:ZST351 3.5 7.5 1.0 CB A:GLN113 3.6 5.9 1.0 CB A:THR303 3.7 11.3 1.0 CG2 A:THR303 3.8 10.1 1.0 CG A:GLN113 4.1 5.3 1.0 C13 A:ZST351 4.2 7.8 1.0 OG1 A:THR303 4.5 9.7 1.0 CE A:MET306 4.6 11.0 1.0 C12 A:ZST351 4.6 6.7 1.0 CG A:MET306 4.8 10.5 1.0 CA A:THR303 4.8 10.7 1.0 CB A:MET306 4.8 9.6 1.0 CA A:GLN113 4.9 5.8 1.0 O A:THR303 4.9 7.6 1.0 C11 A:ZST351 4.9 7.4 1.0

Fluorine binding site 3 out of 3 in the Fr-1 Protein/Nadph/Zopolrestat Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Fr-1 Protein/Nadph/Zopolrestat Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F351 b:12.1 occ:1.00 F3 A:ZST351 0.0 12.1 1.0 C19 A:ZST351 1.3 11.3 1.0 F1 A:ZST351 2.1 9.2 1.0 F2 A:ZST351 2.1 12.6 1.0 C15 A:ZST351 2.4 9.1 1.0 C16 A:ZST351 2.8 7.5 1.0 CB A:THR303 3.6 11.3 1.0 C14 A:ZST351 3.6 8.2 1.0 CD A:PRO310 3.7 3.6 1.0 CD1 A:TYR309 3.8 4.9 1.0 OG1 A:THR303 3.8 9.7 1.0 C12 A:ZST351 4.2 6.7 1.0 CG2 A:THR303 4.2 10.1 1.0 CA A:TYR309 4.2 4.7 1.0 CE3 A:TRP111 4.3 2.9 1.0 CZ3 A:TRP111 4.5 2.6 1.0 CE1 A:TYR309 4.5 5.2 1.0 CG A:PRO310 4.6 4.1 1.0 CG A:TYR309 4.7 5.3 1.0 CB A:TYR309 4.7 5.6 1.0 O A:HOH568 4.7 10.1 1.0 O A:THR303 4.8 7.6 1.0 C13 A:ZST351 4.8 7.8 1.0 N A:PRO310 4.8 4.8 1.0 CA A:THR303 4.9 10.7 1.0 SD A:MET306 4.9 11.1 1.0 C11 A:ZST351 5.0 7.4 1.0 N A:TYR309 5.0 6.2 1.0

D.K.Wilson, T.Nakano, J.M.Petrash, F.A.Quiocho. 1.7 A Structure of Fr-1, A Fibroblast Growth Factor-Induced Member of the Aldo-Keto Reductase Family, Complexed with Coenzyme and Inhibitor. Biochemistry V. 34 14323 1995.
ISSN: ISSN 0006-2960
PubMed: 7578036
DOI: 10.1021/BI00044A009