Chlorine in PDB 7puo: Structure of A Fused 4-Ot Variant Engineered For Asymmetric Michael Addition Reactions

All present enzymatic activity of Structure of A Fused 4-Ot Variant Engineered For Asymmetric Michael Addition Reactions:
5.3.2.6;

The structure of Structure of A Fused 4-Ot Variant Engineered For Asymmetric Michael Addition Reactions, PDB code: 7puo was solved by H.J.Rozeboom, A.M.W.H.Thunnissen, G.J.Poelarends, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.13 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.86, 100.915, 153.117, 90, 90, 90
R / Rfree (%)	20 / 23.6

The binding sites of Chlorine atom in the Structure of A Fused 4-Ot Variant Engineered For Asymmetric Michael Addition Reactions (pdb code 7puo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Fused 4-Ot Variant Engineered For Asymmetric Michael Addition Reactions, PDB code: 7puo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Fused 4-Ot Variant Engineered For Asymmetric Michael Addition Reactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Fused 4-Ot Variant Engineered For Asymmetric Michael Addition Reactions within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:88.1 occ:1.00 CD1 D:ILE112 4.0 50.9 1.0 N D:PRO1 4.4 53.9 1.0 CA D:PRO1 4.4 48.6 1.0 CD1 D:LEU124 4.5 82.4 1.0 CG D:LEU75 4.7 65.2 1.0 O D:HIS73 4.7 44.5 1.0 O D:HOH305 4.7 50.3 1.0 CB D:ALA117 4.8 58.1 1.0 CD2 D:LEU75 4.8 63.8 1.0 CD1 D:ILE2 4.9 53.7 1.0

Chlorine binding site 2 out of 2 in the Structure of A Fused 4-Ot Variant Engineered For Asymmetric Michael Addition Reactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Fused 4-Ot Variant Engineered For Asymmetric Michael Addition Reactions within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl202 b:86.1 occ:1.00 OXT E:ARG129 3.2 69.5 1.0 NH1 C:ARG39 3.9 90.6 1.0 N A:PRO1 4.1 55.2 1.0 C E:ARG129 4.2 74.6 1.0 CA A:PRO1 4.3 45.2 1.0 O E:ARG129 4.6 81.0 1.0 CD1 A:ILE2 4.7 50.3 1.0 O A:HOH309 4.7 50.3 1.0 CG1 A:ILE2 4.8 44.1 1.0 CG A:LEU75 4.8 62.8 1.0 CD1 A:LEU124 4.8 63.9 1.0 CD1 A:ILE112 4.8 47.9 1.0 C A:PRO1 4.8 43.2 1.0 O A:HIS73 4.9 43.8 1.0 CD2 A:LEU75 4.9 58.8 1.0

G.Xu, A.Kunzendorf, M.Crotti, H.J.Rozeboom, A.W.H.Thunnissen, G.J.Poelarends. Gene Fusion and Directed Evolution to Break Structural Symmetry and Boost Catalysis By An Oligomeric C-C Bond-Forming Enzyme. Angew.Chem.Int.Ed.Engl. V. 61 13970 2022.
ISSN: ESSN 1521-3773
PubMed: 34890491
DOI: 10.1002/ANIE.202113970