Chlorine in PDB 8b08: Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec

All present enzymatic activity of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec:
4.2.1.20;

The structure of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec, PDB code: 8b08 was solved by P.Mehrabi, S.Sung, D.Von Stetten, A.Prester, C.E.Hatton, S.Kleine-Dopke, A.Berkes, G.Gore, J.P.Leimkohl, H.Schikora, M.Kollewe, H.Rohde, M.Wilmanns, F.Tellkamp, E.C.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.04 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.482, 60.093, 67.341, 90, 94.75, 90
R / Rfree (%)	19.7 / 24.2

The structure of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec also contains other interesting chemical elements:

Caesium

(Cs)

1 atom

The binding sites of Chlorine atom in the Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec (pdb code 8b08). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec, PDB code: 8b08:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:48.3 occ:0.50 O B:HOH574 2.4 33.8 0.5 O B:HOH587 2.5 41.4 0.5 O B:PRO56 3.1 28.8 1.0 O B:GLY54 3.5 29.6 1.0 O B:HOH575 3.9 29.6 1.0 C B:PRO56 4.2 28.1 1.0 C B:GLY54 4.5 28.2 1.0 N B:PRO56 4.5 29.8 1.0 C B:ARG55 4.6 28.6 1.0 CD B:PRO56 4.7 31.9 1.0 O B:ARG55 4.7 30.3 1.0

Chlorine binding site 2 out of 2 in the Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 30 Sec within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:28.8 occ:1.00 O B:HOH529 2.2 37.2 1.0 O B:HOH584 2.7 34.5 1.0 O B:THR71 2.9 28.5 1.0 O B:THR69 3.2 33.5 1.0 O B:THR66 3.6 34.6 1.0 OG1 B:THR66 3.8 31.5 1.0 C B:THR71 3.9 28.8 1.0 C B:THR69 4.1 31.3 1.0 CB B:THR66 4.1 30.5 1.0 N B:THR71 4.2 30.1 1.0 C B:THR66 4.4 33.8 1.0 OG1 B:THR72 4.4 30.8 1.0 C B:ARG70 4.5 28.6 1.0 CA B:ARG70 4.5 31.9 1.0 OG1 B:THR69 4.6 27.8 1.0 N B:ARG70 4.7 31.5 1.0 N B:THR72 4.8 28.7 1.0 CA B:THR71 4.8 28.6 1.0 CA B:THR72 4.9 26.7 1.0 CA B:THR66 4.9 31.8 1.0

P.Mehrabi, S.Sung, D.Von Stetten, A.Prester, C.E.Hatton, S.Kleine-Dopke, A.Berkes, G.Gore, J.P.Leimkohl, H.Schikora, M.Kollewe, H.Rohde, M.Wilmanns, F.Tellkamp, E.C.Schulz. Millisecond Cryo-Trapping By the Spitrobot Crystal Plunger Simplifies Time-Resolved Crystallography Nat Commun 2023.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-023-37834-W