Chlorine in PDB 7f1l: Designed Enzyme RA61 M48K/I72D Mutant: Form V

The structure of Designed Enzyme RA61 M48K/I72D Mutant: Form V, PDB code: 7f1l was solved by T.Fujioka, M.Oka, N.Numoto, N.Ito, M.Oda, F.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.01 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.17, 63.6, 39.17, 90, 109.1, 90
R / Rfree (%)	17.3 / 20.8

The binding sites of Chlorine atom in the Designed Enzyme RA61 M48K/I72D Mutant: Form V (pdb code 7f1l). 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 Designed Enzyme RA61 M48K/I72D Mutant: Form V, PDB code: 7f1l:

Chlorine binding site 1 out of 1 in the Designed Enzyme RA61 M48K/I72D Mutant: Form V


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Designed Enzyme RA61 M48K/I72D Mutant: Form V within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:36.5 occ:1.00 N A:THR5 3.2 23.6 1.0 NE2 A:GLN8 3.4 23.2 1.0 N A:GLN6 3.5 20.6 1.0 OG1 A:THR5 3.9 25.0 1.0 CA A:ILE4 3.9 24.7 1.0 CB A:GLN6 3.9 28.2 1.0 CG A:GLN6 4.0 35.7 1.0 C A:ILE4 4.0 21.6 1.0 CD1 A:ILE4 4.1 21.9 1.0 CG2 A:ILE4 4.2 30.3 1.0 CA A:THR5 4.2 21.1 1.0 C A:THR5 4.2 21.4 1.0 CA A:GLN6 4.2 21.5 1.0 O A:THR3 4.4 28.9 1.0 CB A:ILE4 4.6 20.2 1.0 CD A:GLN6 4.6 46.3 1.0 CD A:GLN8 4.6 27.2 1.0 O A:GLN6 4.6 20.9 1.0 CB A:THR5 4.7 26.7 1.0 NE2 A:GLN6 4.8 52.2 1.0 N A:ILE4 5.0 21.0 1.0 C A:GLN6 5.0 19.9 1.0

T.Fujioka, N.Numoto, H.Akama, K.Shilpa, M.Oka, P.K.Roy, Y.Krishna, N.Ito, D.Baker, M.Oda, F.Tanaka. Varying the Directionality of Protein Catalysts For Aldol and Retro-Aldol Reactions. Chembiochem 2021.
ISSN: ESSN 1439-7633
PubMed: 34698422
DOI: 10.1002/CBIC.202100435