Fluorine in PDB 1mar: Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat

All present enzymatic activity of Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat:
1.1.1.21;

The structure of Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat, PDB code: 1mar 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)	12.00 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.640, 48.040, 40.480, 64.47, 76.77, 76.07
R / Rfree (%)	18 / n/a

The binding sites of Fluorine atom in the Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat (pdb code 1mar). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat, PDB code: 1mar:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat within 5.0Å range: probe atom residue distance (Å) B Occ A:F351 b:21.7 occ:1.00 F1 A:ZST351 0.0 21.7 1.0 C19 A:ZST351 1.3 20.1 1.0 F3 A:ZST351 2.1 23.7 1.0 F2 A:ZST351 2.1 21.8 1.0 C15 A:ZST351 2.3 17.1 1.0 C14 A:ZST351 2.8 15.3 1.0 C16 A:ZST351 3.4 15.6 1.0 C13 A:ZST351 4.1 15.3 1.0 C12 A:ZST351 4.5 15.3 1.0 CA A:TYR309 4.8 16.9 1.0 C11 A:ZST351 4.8 15.6 1.0

Fluorine binding site 2 out of 3 in the Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat within 5.0Å range: probe atom residue distance (Å) B Occ A:F351 b:21.8 occ:1.00 F2 A:ZST351 0.0 21.8 1.0 C19 A:ZST351 1.3 20.1 1.0 F3 A:ZST351 2.1 23.7 1.0 F1 A:ZST351 2.1 21.7 1.0 C15 A:ZST351 2.3 17.1 1.0 C14 A:ZST351 3.0 15.3 1.0 C16 A:ZST351 3.4 15.6 1.0 C13 A:ZST351 4.3 15.3 1.0 CA A:CYS303 4.3 21.2 1.0 CA A:TYR309 4.5 16.9 1.0 C12 A:ZST351 4.6 15.3 1.0 C11 A:ZST351 4.9 15.6 1.0

Fluorine binding site 3 out of 3 in the Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Refined 1.8 Angstroms Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat within 5.0Å range: probe atom residue distance (Å) B Occ A:F351 b:23.7 occ:1.00 F3 A:ZST351 0.0 23.7 1.0 C19 A:ZST351 1.3 20.1 1.0 F2 A:ZST351 2.1 21.8 1.0 F1 A:ZST351 2.1 21.7 1.0 C15 A:ZST351 2.4 17.1 1.0 C16 A:ZST351 2.7 15.6 1.0 C14 A:ZST351 3.6 15.3 1.0 C12 A:ZST351 4.1 15.3 1.0 CA A:TYR309 4.6 16.9 1.0 C13 A:ZST351 4.7 15.3 1.0 C11 A:ZST351 4.9 15.6 1.0

D.K.Wilson, I.Tarle, J.M.Petrash, F.A.Quiocho. Refined 1.8 A Structure of Human Aldose Reductase Complexed with the Potent Inhibitor Zopolrestat. Proc.Natl.Acad.Sci.Usa V. 90 9847 1993.
ISSN: ISSN 0027-8424
PubMed: 8234324
DOI: 10.1073/PNAS.90.21.9847