Chlorine in PDB 6i5s: Ah, Bottromycin Amidohydrolase

The structure of Ah, Bottromycin Amidohydrolase, PDB code: 6i5s was solved by J.Koehnke, A.Sikandar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.04 / 1.73
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.973, 110.726, 84.896, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.9

The structure of Ah, Bottromycin Amidohydrolase also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Ah, Bottromycin Amidohydrolase (pdb code 6i5s). 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 Ah, Bottromycin Amidohydrolase, PDB code: 6i5s:

Chlorine binding site 1 out of 1 in the Ah, Bottromycin Amidohydrolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ah, Bottromycin Amidohydrolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:83.5 occ:1.00 NE A:ARG309 3.1 51.6 1.0 NH2 A:ARG309 3.4 46.7 1.0 NE2 A:GLN305 3.6 79.0 1.0 CZ A:ARG309 3.7 54.2 1.0 N A:ARG309 3.9 33.0 1.0 CA A:ARG309 4.0 35.0 1.0 CB A:ARG309 4.2 32.5 1.0 CD A:ARG309 4.2 49.0 1.0 O A:GLN305 4.2 36.1 1.0 C A:ALA308 4.3 35.6 1.0 CB A:ALA308 4.4 39.3 1.0 O A:ALA308 4.6 34.0 1.0 CD A:GLN305 4.6 66.4 1.0 CG A:GLN305 4.6 45.8 1.0 CG A:ARG309 4.8 36.9 1.0 CD2 A:LEU312 4.8 86.2 1.0

A.Sikandar, L.Franz, O.Melse, I.Antes, J.Koehnke. Thiazoline-Specific Amidohydrolase Purah Is the Gatekeeper of Bottromycin Biosynthesis. J.Am.Chem.Soc. V. 141 9748 2019.
ISSN: ESSN 1520-5126
PubMed: 31192589
DOI: 10.1021/JACS.8B12231