Chlorine in PDB 8sl7: Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05

The structure of Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05, PDB code: 8sl7 was solved by A.L.Graboski, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.77 / 2.07
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	62.64, 93.951, 105.604, 65.24, 88.01, 74.3
R / Rfree (%)	20.3 / 24.7

The binding sites of Chlorine atom in the Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05 (pdb code 8sl7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05, PDB code: 8sl7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:72.8 occ:0.77 CL21 A:BY3601 0.0 72.8 0.8 C20 A:BY3601 1.8 43.0 0.8 C25 A:BY3601 2.6 42.7 0.8 H192 A:BY3601 2.6 51.0 0.8 C22 A:BY3601 2.7 36.2 0.8 C19 A:BY3601 2.8 42.5 0.8 O26 A:BY3601 3.0 44.8 0.8 NH2 A:ARG152 3.1 38.1 1.0 H191 A:BY3601 3.3 51.0 0.8 CZ A:PHE536 3.4 53.2 1.0 OH B:TYR77 3.4 47.6 1.0 H131 A:BY3601 3.4 47.3 0.8 H301 A:BY3601 3.4 48.1 0.8 C30 A:BY3601 3.5 40.1 0.8 N24 A:BY3601 3.6 46.5 0.8 C23 A:BY3601 3.7 43.3 0.8 CG2 A:THR185 3.8 52.8 1.0 OD2 A:ASP184 4.0 63.7 1.0 CZ A:ARG152 4.0 39.0 1.0 O09 A:BY3601 4.0 34.5 0.8 C15 A:BY3601 4.1 37.3 0.8 CE1 A:PHE536 4.1 49.6 1.0 CZ B:TYR77 4.2 43.5 1.0 CE2 A:PHE536 4.2 58.5 1.0 C13 A:BY3601 4.3 39.4 0.8 H241 A:BY3601 4.4 55.8 0.8 O B:HOH759 4.5 46.8 1.0 NH1 A:ARG152 4.5 42.2 1.0 N14 A:BY3601 4.6 42.8 0.8 H062 A:BY3601 4.7 52.3 0.8 C29 A:BY3601 4.7 40.5 0.8 CG A:ASP184 4.8 65.2 1.0 CE2 B:TYR77 4.8 39.3 1.0 CE1 B:TYR77 4.8 40.8 1.0 OD1 A:ASP184 4.8 66.3 1.0 C27 A:BY3601 4.9 43.2 0.8 OG1 A:THR185 5.0 58.2 1.0 NE A:ARG152 5.0 38.7 1.0

Chlorine binding site 2 out of 4 in the Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:86.4 occ:0.74 CL21 B:BY3601 0.0 86.4 0.7 C20 B:BY3601 1.8 43.3 0.7 C25 B:BY3601 2.6 42.5 0.7 OH A:TYR77 2.8 52.4 1.0 C22 B:BY3601 2.8 42.4 0.7 H192 B:BY3601 2.8 49.9 0.7 C19 B:BY3601 2.8 41.6 0.7 O26 B:BY3601 2.9 40.2 0.7 O A:HOH748 3.1 47.9 1.0 NH2 B:ARG152 3.2 39.7 1.0 H191 B:BY3601 3.2 49.9 0.7 CZ B:PHE536 3.2 56.7 1.0 CE1 B:PHE536 3.2 48.0 1.0 H301 B:BY3601 3.5 48.8 0.7 C30 B:BY3601 3.5 40.6 0.7 CZ A:TYR77 3.5 48.6 1.0 N24 B:BY3601 3.7 45.5 0.7 C23 B:BY3601 3.8 41.3 0.7 CE2 A:TYR77 3.8 48.2 1.0 CZ B:ARG152 4.0 42.4 1.0 NH1 B:ARG152 4.1 41.0 1.0 H141 B:BY3601 4.2 51.4 0.7 CE2 B:PHE536 4.2 59.2 1.0 C15 B:BY3601 4.3 42.1 0.7 CD1 B:PHE536 4.3 52.8 1.0 H241 B:BY3601 4.5 54.5 0.7 CE1 A:TYR77 4.5 46.8 1.0 OD2 B:ASP184 4.5 62.3 1.0 OG1 B:THR185 4.6 60.5 1.0 H131 B:BY3601 4.7 49.5 0.7 C29 B:BY3601 4.8 44.6 0.7 C27 B:BY3601 5.0 42.8 0.7 CE2 B:PHE42 5.0 43.1 1.0

Chlorine binding site 3 out of 4 in the Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:72.8 occ:0.76 CL21 C:BY3601 0.0 72.8 0.8 C20 C:BY3601 1.8 42.0 0.8 C25 C:BY3601 2.5 45.4 0.8 C22 C:BY3601 2.6 42.3 0.8 C19 C:BY3601 2.8 42.7 0.8 H192 C:BY3601 2.8 51.2 0.8 NH2 C:ARG152 2.9 47.1 1.0 O26 C:BY3601 3.0 46.9 0.8 OH D:TYR77 3.0 52.6 1.0 H191 C:BY3601 3.1 51.2 0.8 CZ C:PHE536 3.3 60.4 1.0 C30 C:BY3601 3.3 41.0 0.8 H301 C:BY3601 3.3 49.3 0.8 N24 C:BY3601 3.5 45.9 0.8 O D:HOH725 3.5 48.9 0.9 C23 C:BY3601 3.6 41.7 0.8 CE1 C:PHE536 3.6 54.9 1.0 CZ D:TYR77 3.7 50.7 1.0 CZ C:ARG152 4.0 45.2 1.0 CE2 D:TYR77 4.1 46.3 1.0 C15 C:BY3601 4.2 41.7 0.8 CE2 C:PHE536 4.3 59.1 1.0 NH1 C:ARG152 4.3 42.7 1.0 H241 C:BY3601 4.3 55.1 0.8 CG2 C:THR185 4.5 59.6 1.0 CE1 D:TYR77 4.5 48.2 1.0 C29 C:BY3601 4.6 41.4 0.8 O11 C:BY3601 4.6 39.8 0.8 N14 C:BY3601 4.7 50.8 0.8 H141 C:BY3601 4.7 60.9 0.8 C27 C:BY3601 4.7 42.8 0.8 H062 C:BY3601 4.8 49.3 0.8 OD1 C:ASP184 4.8 70.0 1.0 CD1 C:PHE536 4.9 58.9 1.0

Chlorine binding site 4 out of 4 in the Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Butyricicoccus Sp. Bioml-A1 Tryptophanase Complex with (3S) Alg-05 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl601 b:80.1 occ:0.76 CL21 D:BY3601 0.0 80.1 0.8 C20 D:BY3601 1.8 44.2 0.8 C25 D:BY3601 2.4 43.9 0.8 C22 D:BY3601 2.6 42.3 0.8 OH C:TYR77 2.6 50.9 1.0 O26 D:BY3601 2.8 44.9 0.8 C19 D:BY3601 3.0 39.8 0.8 H191 D:BY3601 3.1 47.8 0.8 CZ C:TYR77 3.1 43.8 1.0 CZ D:PHE536 3.1 59.0 1.0 NH2 D:ARG152 3.2 47.4 1.0 CE1 D:PHE536 3.2 53.2 1.0 N24 D:BY3601 3.3 45.2 0.8 H192 D:BY3601 3.3 47.8 0.8 C30 D:BY3601 3.3 39.9 0.8 C23 D:BY3601 3.4 43.4 0.8 H301 D:BY3601 3.4 47.8 0.8 CE1 C:TYR77 3.4 44.5 1.0 H241 D:BY3601 4.1 54.3 0.8 CE2 C:TYR77 4.1 48.8 1.0 CZ D:ARG152 4.1 45.5 1.0 CE2 D:PHE536 4.3 58.1 1.0 NH1 D:ARG152 4.3 44.4 1.0 C15 D:BY3601 4.3 38.9 0.8 CD1 D:PHE536 4.4 57.3 1.0 C27 D:BY3601 4.5 44.6 0.8 C29 D:BY3601 4.5 40.5 0.8 CD1 C:TYR77 4.6 48.3 1.0 CG2 D:THR185 4.9 54.4 1.0 C28 D:BY3601 5.0 44.2 0.8 N14 D:BY3601 5.0 41.6 0.8 O09 D:BY3601 5.0 38.9 0.8 CE1 D:PHE42 5.0 51.1 1.0

A.L.Graboski, M.R.Redinbo. Mechanism-Based Inhibition of Gut Microbial Tryptophanases Reduces Serum Indoxyl Sulfate To Be Published.