Chlorine in PDB 8b05: Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 20 Sec

All present enzymatic activity of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 20 Sec:
4.2.1.20;

The structure of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 20 Sec, PDB code: 8b05 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)	45.10 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	180.99, 59.108, 66.848, 90, 94.6, 90
R / Rfree (%)	19.1 / 22.7

The structure of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 20 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 20 Sec (pdb code 8b05). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 20 Sec, PDB code: 8b05:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 20 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 20 Sec within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:40.2 occ:0.50 O B:HOH611 2.5 40.2 0.5 O B:PRO56 3.1 28.8 1.0 O B:GLY54 3.4 29.3 1.0 O B:HOH580 4.1 33.6 1.0 O B:HOH604 4.1 29.9 1.0 C B:PRO56 4.3 28.2 1.0 C B:GLY54 4.5 28.5 1.0 N B:PRO56 4.5 29.8 1.0 CD B:PRO56 4.5 31.6 1.0 C B:ARG55 4.6 29.3 1.0 O B:ARG55 4.6 30.7 1.0 CG B:PRO56 4.9 31.8 1.0

Chlorine binding site 2 out of 3 in the Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 20 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 20 Sec within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:42.7 occ:1.00 O B:HOH636 2.5 41.4 1.0 O B:THR71 2.9 31.0 1.0 OG1 B:THR66 3.2 32.5 1.0 O B:THR69 3.3 34.5 1.0 O B:THR66 3.3 36.0 1.0 CB B:THR66 3.5 31.8 1.0 C B:THR66 3.8 35.1 1.0 C B:THR71 4.0 30.9 1.0 C B:THR69 4.1 33.0 1.0 OG1 B:THR69 4.3 29.4 1.0 CA B:THR66 4.3 33.0 1.0 N B:THR71 4.4 32.8 1.0 N B:ALA67 4.4 32.8 1.0 CA B:ALA67 4.7 36.2 1.0 C B:ARG70 4.7 30.4 1.0 O B:HOH508 4.7 29.8 1.0 CA B:ARG70 4.8 33.4 1.0 CG2 B:THR66 4.8 31.1 1.0 N B:THR69 4.8 34.7 1.0 N B:ARG70 4.8 33.3 1.0 N B:THR72 4.9 31.9 1.0 CA B:THR71 4.9 31.0 1.0 OG1 B:THR72 5.0 33.9 1.0 CA B:THR69 5.0 33.6 1.0 CA B:THR72 5.0 30.4 1.0

Chlorine binding site 3 out of 3 in the Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 20 Sec


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tryptophan Synthase - Cryo-Trapping By the Spitrobot Crystal Plunger After 20 Sec within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:47.8 occ:1.00 O B:ASP225 3.1 30.8 1.0 O B:SER249 3.5 32.6 1.0 O B:HOH649 3.8 37.7 1.0 C B:ASP225 4.1 30.1 1.0 N B:GLY251 4.1 29.1 1.0 CA B:ASP225 4.4 32.1 1.0 CB B:ASP225 4.5 33.4 1.0 C B:SER249 4.5 33.8 1.0 CA B:GLY251 4.6 29.2 1.0 O B:HOH623 4.7 41.4 1.0 OD1 B:ASP225 4.7 35.1 1.0 O B:HOH640 5.0 36.4 1.0 C B:VAL250 5.0 29.6 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