Chlorine in PDB 9qyu: Crystal Structure of Leaf Branch Compost Cutinase Quintuple Variant Iccg L50Y

All present enzymatic activity of Crystal Structure of Leaf Branch Compost Cutinase Quintuple Variant Iccg L50Y:
3.1.1.101; 3.1.1.74;

The structure of Crystal Structure of Leaf Branch Compost Cutinase Quintuple Variant Iccg L50Y, PDB code: 9qyu was solved by D.Bischoff, B.Walla, A.-M.Dietrich, R.Janowski, D.Niessing, D.Weuster-Botz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.33 / 1.51
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	96.65, 96.65, 73.71, 90, 90, 90
R / Rfree (%)	14.9 / 18.4

The binding sites of Chlorine atom in the Crystal Structure of Leaf Branch Compost Cutinase Quintuple Variant Iccg L50Y (pdb code 9qyu). 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 Crystal Structure of Leaf Branch Compost Cutinase Quintuple Variant Iccg L50Y, PDB code: 9qyu:

Chlorine binding site 1 out of 1 in the Crystal Structure of Leaf Branch Compost Cutinase Quintuple Variant Iccg L50Y


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Leaf Branch Compost Cutinase Quintuple Variant Iccg L50Y within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:35.5 occ:1.00 O B:VAL34 2.5 40.1 1.0 O B:ARG31 2.6 38.6 1.0 O B:PHE37 2.7 29.2 1.0 O B:HOH466 2.7 36.7 1.0 O B:HOH511 3.0 42.2 1.0 C B:VAL34 3.7 35.3 1.0 C B:ARG31 3.8 37.4 1.0 C B:PHE37 3.8 28.3 1.0 CG2 B:VAL34 4.1 31.1 1.0 OD1 B:ASN88 4.2 30.7 1.0 CA B:GLY38 4.3 29.4 1.0 CG B:ARG31 4.3 37.7 1.0 CA B:SER35 4.5 37.9 1.0 N B:SER35 4.5 36.4 1.0 N B:GLY38 4.6 28.1 1.0 N B:VAL34 4.6 35.7 1.0 CA B:ARG31 4.6 35.8 1.0 CA B:VAL34 4.6 35.0 1.0 CA B:LEU32 4.6 42.4 1.0 N B:PHE37 4.7 26.4 1.0 N B:LEU32 4.7 39.5 1.0 N B:GLY36 4.8 33.1 1.0 C B:GLY38 4.8 29.2 1.0 CA B:PHE37 4.9 27.5 1.0 CB B:VAL34 4.9 32.0 1.0 N B:GLY39 4.9 27.8 1.0 C B:SER35 5.0 37.0 1.0

B.Walla, A.M.Dietrich, E.Brames, D.Bischoff, S.Fritzsche, K.Castiglione, R.Janowski, D.Niessing, D.Weuster-Botz. Application of A Rational Crystal Contact Engineering Strategy on A Poly(Ethylene Terephthalate)-Degrading Cutinase Bioengineering 2025.
DOI: 10.3390/BIOENGINEERING12060561