Chlorine in PDB 8pea: Oxa-48_F72L. Epistasis Arises From Shifting the Rate-Limiting Step During Enzyme Evolution

The structure of Oxa-48_F72L. Epistasis Arises From Shifting the Rate-Limiting Step During Enzyme Evolution, PDB code: 8pea was solved by H.-K.S.Leiros, C.Frohlich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.679, 82.823, 100.991, 90, 90, 90
R / Rfree (%)	20.4 / 24.7

The binding sites of Chlorine atom in the Oxa-48_F72L. Epistasis Arises From Shifting the Rate-Limiting Step During Enzyme Evolution (pdb code 8pea). 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 Oxa-48_F72L. Epistasis Arises From Shifting the Rate-Limiting Step During Enzyme Evolution, PDB code: 8pea:

Chlorine binding site 1 out of 1 in the Oxa-48_F72L. Epistasis Arises From Shifting the Rate-Limiting Step During Enzyme Evolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Oxa-48_F72L. Epistasis Arises From Shifting the Rate-Limiting Step During Enzyme Evolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:35.8 occ:1.00 NH1 A:ARG206 3.1 30.6 1.0 O A:HOH527 3.1 41.6 1.0 NH2 B:ARG206 3.2 32.8 1.0 NH2 A:ARG206 3.2 29.4 1.0 NH1 B:ARG206 3.4 27.6 1.0 O B:HOH430 3.5 30.0 1.0 CZ A:ARG206 3.6 33.7 1.0 CZ B:ARG206 3.7 37.4 1.0 CD2 A:LEU196 4.1 28.9 1.0 CA A:GLN193 4.2 31.4 1.0 CG A:GLN193 4.3 27.9 1.0 CD2 B:LEU196 4.3 32.3 1.0 CA B:GLN193 4.4 30.8 1.0 CB A:GLN193 4.4 27.7 1.0 CG B:GLN193 4.5 29.2 1.0 CB B:GLN193 4.6 31.3 1.0 O A:GLN193 4.8 31.8 1.0 CB A:LEU196 4.9 27.6 1.0 NE A:ARG206 4.9 27.8 1.0 CB B:LEU196 4.9 31.9 1.0 CG A:LEU196 4.9 32.2 1.0 O A:HOH454 5.0 39.6 1.0

C.Frohlich, H.-K.S.Leiros. Epistasis Arises From Shifting the Rate-Limiting Step During Enzyme Evolution. To Be Published 2024.
DOI: 10.1038/S41929-024-01117-4