Chlorine in PDB 6ci8: Structure of the Microcompartment-Associated Aminoacetone Dehydrogenase

All present enzymatic activity of Structure of the Microcompartment-Associated Aminoacetone Dehydrogenase:
1.1.1.100;

The structure of Structure of the Microcompartment-Associated Aminoacetone Dehydrogenase, PDB code: 6ci8 was solved by E.Mallette, M.S.Kimber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.14 / 1.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.240, 104.240, 80.860, 90.00, 90.00, 120.00
R / Rfree (%)	14.4 / 17

The binding sites of Chlorine atom in the Structure of the Microcompartment-Associated Aminoacetone Dehydrogenase (pdb code 6ci8). 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 the Microcompartment-Associated Aminoacetone Dehydrogenase, PDB code: 6ci8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Microcompartment-Associated Aminoacetone Dehydrogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Microcompartment-Associated Aminoacetone Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:25.0 occ:1.00 CL B:CL301 2.9 24.1 1.0 NH1 A:ARG169 3.1 12.3 1.0 O A:HOH560 3.2 32.4 1.0 O A:HOH431 3.3 25.9 1.0 NH2 A:ARG169 3.7 12.1 1.0 CB A:LEU165 3.7 8.1 1.0 CD1 A:LEU165 3.7 10.5 1.0 O B:HOH505 3.9 30.0 1.0 CZ A:ARG169 3.9 10.0 1.0 O A:ALA162 4.0 12.3 1.0 CB A:ALA162 4.1 11.7 1.0 CA A:ALA162 4.2 12.5 1.0 CB A:PRO147 4.2 12.6 1.0 CA A:PRO147 4.3 11.2 1.0 CB B:ALA162 4.3 10.8 1.0 CG A:LEU165 4.3 10.2 1.0 C A:ALA162 4.6 10.7 1.0 CG A:PRO147 4.7 10.7 1.0 O B:PRO147 4.9 11.5 1.0 N A:GLY166 4.9 10.3 1.0 CA B:PRO147 4.9 7.8 1.0 O A:PRO147 5.0 13.4 1.0 CA A:LEU165 5.0 8.0 1.0

Chlorine binding site 2 out of 2 in the Structure of the Microcompartment-Associated Aminoacetone Dehydrogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Microcompartment-Associated Aminoacetone Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:24.1 occ:1.00 CL A:CL301 2.9 25.0 1.0 NH1 B:ARG169 3.2 12.3 1.0 O B:HOH505 3.2 30.0 1.0 NH2 B:ARG169 3.7 13.1 1.0 O A:HOH431 3.7 25.9 1.0 CB B:LEU165 3.8 9.2 1.0 CD1 B:LEU165 3.8 10.8 1.0 CZ B:ARG169 3.9 13.4 1.0 O B:ALA162 4.0 11.5 1.0 CB B:ALA162 4.1 10.8 1.0 CA B:ALA162 4.2 10.8 1.0 CB B:PRO147 4.2 9.8 1.0 CA B:PRO147 4.2 7.8 1.0 CG B:LEU165 4.3 9.4 1.0 CB A:ALA162 4.3 11.7 1.0 CG B:PRO147 4.5 8.8 1.0 C B:ALA162 4.5 13.1 1.0 N B:GLY166 4.8 11.1 1.0 O A:PRO147 4.9 13.4 1.0 CA A:PRO147 4.9 11.2 1.0 O B:PRO147 5.0 11.5 1.0 CA B:LEU165 5.0 11.4 1.0 NH1 A:ARG169 5.0 12.3 1.0 O A:HOH688 5.0 36.8 1.0

E.Mallette, M.S.Kimber. Structure and Kinetics of the S-(+)-1-Amino-2-Propanol Dehydrogenase From the Rmm Microcompartment of Mycobacterium Smegmatis. Biochemistry V. 57 3780 2018.
ISSN: ISSN 1520-4995
PubMed: 29757625
DOI: 10.1021/ACS.BIOCHEM.8B00464