Chlorine in PDB 8jsu: The Crystal Structure of Tvae in Complex with Tvalp

The structure of The Crystal Structure of Tvae in Complex with Tvalp, PDB code: 8jsu was solved by M.Li, L.F.Pan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.14 / 1.44
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	45.224, 52.499, 73.673, 94.72, 90.55, 112.55
R / Rfree (%)	17.3 / 19.7

The structure of The Crystal Structure of Tvae in Complex with Tvalp also contains other interesting chemical elements:

Bromine	(Br)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the The Crystal Structure of Tvae in Complex with Tvalp (pdb code 8jsu). 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 The Crystal Structure of Tvae in Complex with Tvalp, PDB code: 8jsu:

Chlorine binding site 1 out of 1 in the The Crystal Structure of Tvae in Complex with Tvalp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Tvae in Complex with Tvalp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:11.7 occ:1.00 O B:HOH729 3.3 50.7 1.0 O B:HOH505 3.3 23.8 1.0 CB B:GLN224 3.8 11.2 1.0 CD2 B:HIS273 3.8 23.9 1.0 CG2 B:ILE270 3.8 11.2 1.0 CA B:GLN224 4.0 9.3 1.0 CG1 B:ILE270 4.1 10.3 1.0 CG B:GLN224 4.2 15.4 1.0 CG B:HIS273 4.2 20.5 1.0 CB B:ILE270 4.3 9.1 1.0 CA B:ILE270 4.3 9.1 1.0 CB B:HIS273 4.4 15.0 1.0 N B:GLN224 4.4 9.1 1.0 CD2 B:LEU290 4.5 24.1 0.1 CB B:ALA294 4.5 12.0 1.0 O B:ILE270 4.7 11.9 1.0 CG B:ARG220 4.7 14.3 0.5 NE2 B:HIS273 4.7 22.5 1.0 CG B:ARG220 4.7 13.6 0.5 CG B:ARG220 4.7 14.2 0.0 CG1 B:VAL274 4.8 18.7 1.0 O B:ARG220 4.9 8.1 1.0 CG B:LEU290 4.9 24.6 0.3 O B:HOH549 4.9 24.0 1.0 CD B:GLN224 4.9 20.8 1.0 CG1 B:VAL223 5.0 12.7 1.0 C B:ILE270 5.0 11.2 1.0 OE1 B:GLN224 5.0 23.0 1.0

M.Li, L.F.Pan. Pseudokinases Can Catalyze Peptide Cyclization Through Thioether Crosslinking Nat.Chem. 2025.
ISSN: ESSN 1755-4349