Chlorine in PDB 8b03: Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 0 Sec

All present enzymatic activity of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 0 Sec:
4.2.1.20;

The structure of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 0 Sec, PDB code: 8b03 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)	44.15 / 2.22
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.566, 60.445, 67.257, 90, 94.67, 90
R / Rfree (%)	20.8 / 23.3

The structure of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 0 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 0 Sec (pdb code 8b03). 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 0 Sec, PDB code: 8b03:
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 0 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 0 Sec within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:50.3 occ:0.50 O B:HOH641 2.4 40.7 0.5 O B:HOH632 2.7 40.7 0.5 O B:GLY54 3.0 29.9 1.0 O B:PRO56 3.2 30.1 1.0 O B:HOH614 3.5 41.0 1.0 O B:HOH564 4.0 41.0 1.0 C B:GLY54 4.2 29.1 1.0 C B:PRO56 4.4 29.5 1.0 N B:PRO56 4.7 30.7 1.0 C B:ARG55 4.8 29.1 1.0 CD B:PRO56 4.9 32.1 1.0 CA B:GLY54 4.9 28.9 1.0 O B:ARG55 4.9 30.3 1.0

Chlorine binding site 2 out of 2 in the Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 0 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 0 Sec within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:29.2 occ:1.00 O B:HOH636 2.2 33.5 1.0 O B:THR71 3.0 33.0 1.0 O B:THR69 3.1 35.3 1.0 O B:THR66 3.3 36.4 1.0 OG1 B:THR66 3.3 34.0 1.0 O B:HOH507 3.8 41.0 1.0 CB B:THR66 3.8 33.3 1.0 C B:THR66 3.9 35.8 1.0 C B:THR69 4.0 34.0 1.0 C B:THR71 4.0 33.0 1.0 OG1 B:THR69 4.4 31.5 1.0 N B:THR71 4.4 34.2 1.0 CA B:THR66 4.6 34.3 1.0 N B:ALA67 4.6 33.9 1.0 C B:ARG70 4.7 32.5 1.0 N B:THR69 4.7 35.5 1.0 CA B:ARG70 4.7 34.8 1.0 CA B:ALA67 4.7 36.6 1.0 O B:HOH513 4.8 40.7 1.0 N B:ARG70 4.8 34.6 1.0 O B:HOH522 4.8 41.0 1.0 CA B:THR71 4.9 33.0 1.0 N B:THR72 4.9 34.5 1.0 CA B:THR69 4.9 34.6 1.0 OG1 B:THR72 5.0 36.1 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