Chlorine in PDB 8b9m: Cysteine Synthase From Leishmania Infantum

All present enzymatic activity of Cysteine Synthase From Leishmania Infantum:
2.5.1.47;

The structure of Cysteine Synthase From Leishmania Infantum, PDB code: 8b9m was solved by K.V.Sowerby, E.Pohl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.18 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.879, 87.759, 138.073, 90, 90, 90
R / Rfree (%)	16.4 / 20.5

The binding sites of Chlorine atom in the Cysteine Synthase From Leishmania Infantum (pdb code 8b9m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Cysteine Synthase From Leishmania Infantum, PDB code: 8b9m:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Cysteine Synthase From Leishmania Infantum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cysteine Synthase From Leishmania Infantum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:23.2 occ:1.00 H A:THR209 2.3 21.9 1.0 HG1 A:THR209 2.4 24.6 0.0 HG22 A:THR209 2.9 19.0 1.0 O A:HOH612 2.9 18.4 1.0 HG3 A:PRO320 3.1 15.4 1.0 O A:HOH652 3.2 29.4 1.0 N A:THR209 3.2 21.7 1.0 OG1 A:THR209 3.2 17.7 1.0 O A:HOH567 3.3 23.6 1.0 HA3 A:GLY208 3.3 27.8 1.0 HA2 A:GLY208 3.4 27.8 1.0 HG13 A:VAL318 3.4 17.0 1.0 HB1 A:ALA202 3.6 18.7 1.0 HG12 A:VAL318 3.6 17.0 1.0 CG2 A:THR209 3.7 19.4 1.0 HB A:VAL318 3.7 17.4 1.0 CA A:GLY208 3.7 28.5 1.0 HG13 A:VAL69 3.8 14.6 1.0 HB3 A:PRO320 3.8 15.3 1.0 CB A:THR209 3.9 18.1 1.0 CG1 A:VAL318 3.9 16.7 1.0 CG A:PRO320 4.0 15.2 1.0 C A:GLY208 4.0 25.7 1.0 HG21 A:VAL318 4.0 18.7 1.0 HG21 A:VAL69 4.0 15.7 1.0 HG21 A:THR209 4.1 19.0 1.0 CA A:THR209 4.2 19.2 1.0 H A:GLY203 4.2 19.8 1.0 HG2 A:PRO320 4.2 15.4 1.0 CB A:VAL318 4.2 17.6 1.0 HD22 A:ASN297 4.4 22.4 0.0 CB A:PRO320 4.4 15.6 1.0 HG23 A:THR209 4.4 19.0 1.0 O A:HOH660 4.5 28.4 1.0 CB A:ALA202 4.5 18.9 1.0 H A:LEU210 4.6 18.7 1.0 CG2 A:VAL318 4.6 19.2 1.0 CG1 A:VAL69 4.7 14.7 1.0 HA A:PRO320 4.7 14.7 1.0 HB2 A:ALA202 4.7 18.7 1.0 HB A:THR209 4.8 18.5 1.0 HG11 A:VAL318 4.8 17.0 1.0 HG22 A:VAL318 4.8 18.7 1.0 HB3 A:ALA202 4.9 18.7 1.0 HA A:THR209 4.9 19.3 1.0 CG2 A:VAL69 4.9 16.4 1.0 HG11 A:VAL69 4.9 14.6 1.0

Chlorine binding site 2 out of 3 in the Cysteine Synthase From Leishmania Infantum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cysteine Synthase From Leishmania Infantum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:19.4 occ:1.00 H A:GLY294 2.4 16.2 1.0 H A:GLY291 2.5 16.6 1.0 H A:SER321 2.7 14.7 1.0 HD2 A:PRO320 2.7 15.3 1.0 OG A:SER321 3.0 24.1 1.0 HB2 A:SER293 3.0 20.1 1.0 HA3 A:GLY291 3.0 17.0 1.0 N A:GLY291 3.2 16.3 1.0 HB2 A:CYS290 3.2 18.0 1.0 N A:GLY294 3.2 16.2 1.0 O A:HOH643 3.3 28.8 1.0 N A:SER321 3.4 15.1 1.0 HG A:SER321 3.4 30.5 0.0 CA A:GLY291 3.4 17.3 1.0 HB2 A:PRO320 3.4 15.3 1.0 H A:SER293 3.4 17.9 1.0 HA3 A:GLY294 3.5 16.0 1.0 C A:GLY291 3.5 17.2 1.0 O A:HOH653 3.6 36.0 1.0 O A:SER321 3.6 15.5 1.0 CD A:PRO320 3.6 15.7 1.0 O A:GLY291 3.7 17.0 1.0 N A:SER293 3.9 18.0 1.0 CB A:SER293 3.9 19.9 1.0 CA A:GLY294 3.9 15.8 1.0 CB A:SER321 4.0 18.1 1.0 HG2 A:PRO320 4.0 15.4 1.0 N A:PRO320 4.0 14.4 1.0 CA A:SER321 4.0 14.7 1.0 CB A:PRO320 4.1 15.6 1.0 CB A:CYS290 4.1 17.7 1.0 CG A:PRO320 4.1 15.2 1.0 C A:SER293 4.2 16.6 1.0 CA A:SER293 4.2 17.6 1.0 N A:PHE292 4.2 16.6 1.0 C A:SER321 4.2 14.8 1.0 HB3 A:SER321 4.2 18.4 1.0 C A:PRO320 4.3 14.1 1.0 HD3 A:PRO320 4.3 15.3 1.0 HG21 A:ILE319 4.3 15.9 1.0 CA A:PRO320 4.3 14.8 1.0 HA2 A:GLY291 4.3 17.0 1.0 HA2 A:GLY294 4.4 16.0 1.0 H A:PHE292 4.4 17.0 1.0 C A:CYS290 4.4 16.4 1.0 HB3 A:SER293 4.4 20.1 1.0 HG A:SER293 4.6 30.4 0.0 HE2 A:TYR326 4.6 19.4 1.0 HG A:CYS290 4.7 26.0 0.0 HB3 A:CYS290 4.7 18.0 1.0 HA A:CYS290 4.7 16.9 1.0 C A:PHE292 4.7 17.8 1.0 CA A:CYS290 4.7 17.5 1.0 H A:GLY295 4.7 15.0 1.0 OG A:SER293 4.8 23.5 1.0 HA A:ILE319 4.8 15.1 1.0 HB2 A:SER321 4.8 18.4 1.0 SG A:CYS290 4.8 19.4 1.0 C A:ILE319 4.8 15.2 1.0 HB3 A:PRO320 4.9 15.3 1.0 HA A:SER321 5.0 15.4 1.0

Chlorine binding site 3 out of 3 in the Cysteine Synthase From Leishmania Infantum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cysteine Synthase From Leishmania Infantum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:20.1 occ:1.00 H B:GLY294 2.4 16.8 1.0 H B:GLY291 2.4 17.8 1.0 HD2 B:PRO320 2.7 15.2 1.0 H B:SER321 2.8 14.4 1.0 OG B:SER321 3.0 13.7 0.5 HB2 B:SER293 3.0 21.4 1.0 HB2 B:SER321 3.0 17.6 0.5 HA3 B:GLY291 3.1 17.9 1.0 N B:GLY291 3.1 17.5 1.0 N B:GLY294 3.2 16.8 1.0 O B:HOH693 3.2 27.5 1.0 HB2 B:CYS290 3.2 17.2 1.0 HB2 B:PRO320 3.3 15.0 1.0 HG B:SER321 3.3 30.8 0.0 CA B:GLY291 3.4 18.3 1.0 N B:SER321 3.4 14.0 1.0 HA3 B:GLY294 3.5 16.0 1.0 CD B:PRO320 3.6 15.5 1.0 O B:SER321 3.6 15.2 1.0 C B:GLY291 3.6 17.6 1.0 H B:SER293 3.7 17.8 1.0 CB B:SER321 3.8 17.2 0.5 O B:GLY291 3.8 15.8 1.0 CA B:GLY294 3.9 16.1 1.0 CB B:SER293 3.9 21.0 1.0 HG2 B:PRO320 4.0 15.5 1.0 CB B:PRO320 4.0 15.1 1.0 CA B:SER321 4.0 15.6 0.5 O B:HOH688 4.0 37.3 1.0 N B:SER293 4.0 17.4 1.0 N B:PRO320 4.0 14.2 1.0 CA B:SER321 4.1 14.3 0.5 CB B:SER321 4.1 14.4 0.5 CG B:PRO320 4.1 15.6 1.0 C B:SER293 4.1 17.4 1.0 OG B:SER321 4.2 20.6 0.5 CB B:CYS290 4.2 16.9 1.0 C B:SER321 4.2 14.9 1.0 CA B:SER293 4.2 18.3 1.0 N B:PHE292 4.2 17.0 1.0 HD3 B:PRO320 4.3 15.2 1.0 C B:PRO320 4.3 14.4 1.0 HG21 B:ILE319 4.3 13.9 1.0 HG B:SER321 4.3 30.8 0.0 HA2 B:GLY294 4.3 16.0 1.0 C B:CYS290 4.3 18.3 1.0 CA B:PRO320 4.3 14.4 1.0 H B:PHE292 4.4 17.5 1.0 HA2 B:GLY291 4.4 18.0 1.0 HB3 B:SER293 4.4 21.4 1.0 HB3 B:SER321 4.4 14.2 0.5 HE2 B:TYR326 4.5 22.2 1.0 HB3 B:SER321 4.6 17.6 0.5 HG B:SER293 4.7 33.1 0.0 HA B:CYS290 4.7 16.7 1.0 CA B:CYS290 4.7 16.4 1.0 H B:GLY295 4.7 15.5 1.0 HG B:CYS290 4.7 25.4 0.0 C B:PHE292 4.8 18.1 1.0 HB3 B:CYS290 4.8 17.2 1.0 HB3 B:PRO320 4.8 15.0 1.0 HA B:ILE319 4.8 13.4 1.0 SG B:CYS290 4.8 18.8 1.0 C B:ILE319 4.9 13.8 1.0 HB2 B:SER321 4.9 14.2 0.5 OG B:SER293 4.9 26.2 1.0 HA B:SER321 4.9 15.4 0.5

K.Sowerby, S.Freitag-Pohl, A.M.Murillo, A.M.Silber, E.Pohl. Cysteine Synthase: Multiple Structures of A Key Enzyme in Cysteine Synthesis and A Potential Drug Target For Chagas Disease and Leishmaniasis. Acta Crystallogr D Struct 2023BIOL.
ISSN: ISSN 2059-7983
PubMed: 37204818
DOI: 10.1107/S2059798323003613