Chlorine in PDB 1okx: Binding Structure of Elastase Inhibitor Scyptolin A

All present enzymatic activity of Binding Structure of Elastase Inhibitor Scyptolin A:
3.4.21.36;

The structure of Binding Structure of Elastase Inhibitor Scyptolin A, PDB code: 1okx was solved by U.Matern, C.Schleberger, S.Jelakovic, J.Weckesser, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.29 / 2.80
Space group	P 6 2 2
Cell size a, b, c (Å), α, β, γ (°)	155.890, 155.890, 91.030, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 26

The binding sites of Chlorine atom in the Binding Structure of Elastase Inhibitor Scyptolin A (pdb code 1okx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Binding Structure of Elastase Inhibitor Scyptolin A, PDB code: 1okx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Binding Structure of Elastase Inhibitor Scyptolin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Binding Structure of Elastase Inhibitor Scyptolin A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1262 b:22.3 occ:1.00 CL C:CNT1262 0.0 22.3 1.0 CE2 C:CNT1262 1.8 22.3 1.0 CD2 C:CNT1262 2.7 22.3 1.0 CZ C:CNT1262 2.8 22.3 1.0 OH C:CNT1262 3.0 22.3 1.0 CB A:GLN200 3.5 26.8 1.0 CD2 A:LEU149 3.9 13.5 1.0 CG A:LEU149 4.0 13.5 1.0 CG C:CNT1262 4.0 22.3 1.0 CD1 A:LEU149 4.1 13.5 1.0 CD1 C:CNT1262 4.1 22.3 1.0 CD2 A:LEU156 4.3 46.5 1.0 CG A:GLN200 4.3 26.8 1.0 O A:GLN200 4.3 20.9 1.0 C4 C:SUJ1261 4.4 22.3 1.0 CG A:LEU156 4.5 46.5 1.0 CE1 C:CNT1262 4.6 22.3 1.0 C A:GLN200 4.6 20.9 1.0 CE2 D:CNT1262 4.6 12.6 1.0 CZ D:CNT1262 4.7 12.6 1.0 CD1 A:LEU156 4.7 46.5 1.0 CA A:GLN200 4.7 20.9 1.0 O1 C:SUJ1261 4.8 17.2 1.0 CL D:CNT1262 4.9 12.6 1.0 OH D:CNT1262 4.9 12.6 1.0

Chlorine binding site 2 out of 2 in the Binding Structure of Elastase Inhibitor Scyptolin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Binding Structure of Elastase Inhibitor Scyptolin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1262 b:12.6 occ:1.00 CL D:CNT1262 0.0 12.6 1.0 CE2 D:CNT1262 1.8 12.6 1.0 CD2 D:CNT1262 2.7 12.6 1.0 CZ D:CNT1262 2.8 12.6 1.0 OH D:CNT1262 3.0 12.6 1.0 CB B:GLN200 3.6 29.0 1.0 CD2 B:LEU149 3.8 12.6 1.0 CG B:LEU149 4.0 12.6 1.0 CD1 B:LEU149 4.1 12.6 1.0 CG D:CNT1262 4.1 12.6 1.0 CD1 D:CNT1262 4.1 12.6 1.0 CD2 B:LEU156 4.2 18.7 1.0 O B:GLN200 4.3 30.8 1.0 CG B:LEU156 4.3 18.7 1.0 C4 D:SUJ1261 4.4 12.6 1.0 CG B:GLN200 4.4 29.0 1.0 CE2 C:CNT1262 4.5 22.3 1.0 CE1 D:CNT1262 4.6 12.6 1.0 CD1 B:LEU156 4.6 18.7 1.0 C B:GLN200 4.6 30.8 1.0 CZ C:CNT1262 4.7 22.3 1.0 CD2 C:CNT1262 4.7 22.3 1.0 CA B:GLN200 4.8 30.8 1.0 O1 D:SUJ1261 4.9 27.4 1.0 CL C:CNT1262 4.9 22.3 1.0

U.Matern, C.Schleberger, S.Jelakovic, J.Weckesser, G.E.Schulz. Binding Structure of Elastase Inhibitor Scyptolin A Chem.Biol. V. 10 997 2003.
ISSN: ISSN 1074-5521
PubMed: 14583266
DOI: 10.1016/J.CHEMBIOL.2003.10.001