Fluorine in PDB 3u2c: Aldose Reductase in Complex with Nsaid-Type Inhibitor at 1.0 A Resolution

All present enzymatic activity of Aldose Reductase in Complex with Nsaid-Type Inhibitor at 1.0 A Resolution:
1.1.1.21;

The structure of Aldose Reductase in Complex with Nsaid-Type Inhibitor at 1.0 A Resolution, PDB code: 3u2c was solved by H.Steuber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.095, 67.207, 49.419, 90.00, 92.38, 90.00
R / Rfree (%)	11.4 / 13.8

The binding sites of Fluorine atom in the Aldose Reductase in Complex with Nsaid-Type Inhibitor at 1.0 A Resolution (pdb code 3u2c). 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 Aldose Reductase in Complex with Nsaid-Type Inhibitor at 1.0 A Resolution, PDB code: 3u2c:

Fluorine binding site 1 out of 1 in the Aldose Reductase in Complex with Nsaid-Type Inhibitor at 1.0 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Aldose Reductase in Complex with Nsaid-Type Inhibitor at 1.0 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:12.9 occ:1.00 F A:SUZ2001 0.0 12.9 1.0 C15 A:SUZ2001 1.3 10.8 1.0 C16 A:SUZ2001 2.3 12.1 1.0 C14 A:SUZ2001 2.4 10.6 1.0 O A:VAL47 3.1 6.6 1.0 CD1 A:TYR48 3.5 5.3 1.0 NE1 A:TRP20 3.6 7.2 1.0 C13 A:SUZ2001 3.6 10.7 1.0 C17 A:SUZ2001 3.6 13.9 1.0 CD1 A:TRP20 3.6 6.3 1.0 C A:VAL47 3.7 5.1 1.0 O A:HOH1108 3.7 26.7 1.0 O A:HOH1098 3.7 19.9 1.0 CG1 A:VAL47 3.7 6.0 1.0 O A:HOH1110 3.8 25.6 1.0 O A:HOH1109 3.8 19.9 1.0 CA A:TYR48 3.8 5.6 1.0 N A:TYR48 4.0 5.2 1.0 C18 A:SUZ2001 4.1 11.1 1.0 CG2 A:VAL47 4.1 6.3 1.0 CE1 A:TYR48 4.2 5.2 1.0 CB A:VAL47 4.3 5.5 1.0 O A:HOH1085 4.5 9.5 1.0 CG A:TYR48 4.5 5.0 1.0 CA A:VAL47 4.6 5.5 1.0 CE2 A:TRP20 4.6 6.3 1.0 CB A:TYR48 4.7 5.9 1.0 CG A:TRP20 4.7 5.5 1.0 C A:TYR48 4.8 5.7 1.0 O A:HOH1099 4.9 23.8 1.0 C10 A:SUZ2001 4.9 10.6 1.0

H.Steuber, H.Steuber. N/A N/A.
ISSN: ISSN 1860-7179
PubMed: 21997888
DOI: 10.1002/CMDC.201100374