Chlorine in PDB 5dyn: B. Fragilis Cysteine Protease

The structure of B. Fragilis Cysteine Protease, PDB code: 5dyn was solved by V.M.Choi, J.Herrou, A.L.Hecht, J.R.Turner, S.Crosson, J.Bubeck Wardenburg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.43 / 2.48
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	124.320, 48.900, 60.880, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 22.3

The structure of B. Fragilis Cysteine Protease also contains other interesting chemical elements:

Sodium

(Na)

8 atoms

The binding sites of Chlorine atom in the B. Fragilis Cysteine Protease (pdb code 5dyn). 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 B. Fragilis Cysteine Protease, PDB code: 5dyn:

Chlorine binding site 1 out of 1 in the B. Fragilis Cysteine Protease


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of B. Fragilis Cysteine Protease within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:61.1 occ:1.00 O B:HOH513 3.2 32.8 1.0 NH2 B:ARG297 3.3 32.3 1.0 N B:CYS294 3.7 29.6 1.0 CA B:MET293 4.0 29.2 1.0 ND2 B:ASN352 4.0 33.5 1.0 SD B:MET293 4.1 41.6 1.0 O B:VAL292 4.2 29.4 1.0 C B:MET293 4.3 32.4 1.0 CZ B:ARG297 4.4 34.3 1.0 OD1 B:ASN352 4.5 31.4 1.0 CB B:CYS294 4.5 27.8 1.0 NH1 B:ARG297 4.6 31.2 1.0 CG B:ASN352 4.6 34.9 1.0 CA B:CYS294 4.6 26.6 1.0 N B:MET293 4.7 34.2 1.0 C B:VAL292 4.7 31.0 1.0 O B:CYS294 4.8 28.1 1.0 CB B:MET293 5.0 31.8 1.0

V.M.Choi, J.Herrou, A.L.Hecht, W.P.Teoh, J.R.Turner, S.Crosson, J.Bubeck Wardenburg. Activation of Bacteroides Fragilis Toxin By A Novel Bacterial Protease Contributes to Anaerobic Sepsis in Mice. Nat. Med. V. 22 563 2016.
ISSN: ISSN 1546-170X
PubMed: 27089515
DOI: 10.1038/NM.4077