Chlorine in PDB 1z8a: Human Aldose Reductase Complexed with Novel Sulfonyl-Pyridazinone Inhibitor

All present enzymatic activity of Human Aldose Reductase Complexed with Novel Sulfonyl-Pyridazinone Inhibitor:
1.1.1.21;

The structure of Human Aldose Reductase Complexed with Novel Sulfonyl-Pyridazinone Inhibitor, PDB code: 1z8a was solved by H.Steuber, M.Zentgraf, A.Podjarny, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 0.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.390, 66.860, 47.370, 90.00, 91.88, 90.00
R / Rfree (%)	12.2 / 14.2

The binding sites of Chlorine atom in the Human Aldose Reductase Complexed with Novel Sulfonyl-Pyridazinone Inhibitor (pdb code 1z8a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Aldose Reductase Complexed with Novel Sulfonyl-Pyridazinone Inhibitor, PDB code: 1z8a:

Chlorine binding site 1 out of 1 in the Human Aldose Reductase Complexed with Novel Sulfonyl-Pyridazinone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Aldose Reductase Complexed with Novel Sulfonyl-Pyridazinone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl600 b:12.2 occ:0.46 CL21 A:62P600 0.0 12.2 0.5 CD1 A:LEU300 1.7 13.5 0.5 C15 A:62P600 1.7 9.0 0.5 C14 A:62P600 2.7 10.2 0.5 C16 A:62P600 2.7 8.6 0.5 CG A:LEU300 2.8 18.1 0.5 CB A:LEU300 3.3 10.8 0.5 OG1 A:THR113 3.5 7.4 1.0 CG2 A:THR113 3.5 8.8 1.0 CE3 A:TRP111 3.6 7.2 1.0 CB A:CYS303 3.7 13.7 0.7 CD A:PRO310 3.8 7.0 1.0 CD1 A:TYR309 3.8 13.8 1.0 C11 A:62P600 3.9 8.1 0.5 C17 A:62P600 4.0 7.3 0.5 CB A:CYS303 4.0 13.0 0.3 CD2 A:LEU300 4.1 17.4 0.5 CZ3 A:TRP111 4.1 8.3 1.0 CB A:THR113 4.1 7.4 1.0 CD2 A:TRP111 4.2 6.3 1.0 CE1 A:TYR309 4.2 15.6 1.0 C12 A:62P600 4.4 7.1 0.5 SG A:CYS303 4.4 14.5 0.7 SG A:CYS303 4.5 13.6 0.3 O A:LEU300 4.6 10.7 0.5 CG A:PRO310 4.6 7.4 1.0 CB A:TRP111 4.7 5.3 1.0 CG A:TRP111 4.7 5.9 1.0 CA A:LEU300 4.7 10.1 0.5 CA A:TYR309 4.7 9.2 1.0 CG A:TYR309 4.8 14.2 1.0 O A:CYS303 4.9 10.7 0.3

H.Steuber, M.Zentgraf, A.Podjarny, A.Heine, G.Klebe. High-Resolution Crystal Structure of Aldose Reductase Complexed with the Novel Sulfonyl-Pyridazinone Inhibitor Exhibiting An Alternative Active Site Anchoring Group. J.Mol.Biol. V. 356 45 2006.
ISSN: ISSN 0022-2836
PubMed: 16337231
DOI: 10.1016/J.JMB.2005.10.067