Chlorine in PDB 6c07: Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum

All present enzymatic activity of Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum:
2.5.1.6;

The structure of Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum, PDB code: 6c07 was solved by J.F.Ohren, R.E.Viola, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 1.85
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	134.390, 62.060, 191.583, 90.00, 90.65, 90.00
R / Rfree (%)	15.7 / 20.4

The structure of Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum also contains other interesting chemical elements:

Magnesium	(Mg)	7 atoms
Potassium	(K)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum (pdb code 6c07). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum, PDB code: 6c07:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:26.2 occ:0.79 HZ3 A:LYS293 2.1 34.9 1.0 HH21 B:ARG272 2.2 32.6 1.0 H A:ALA289 2.4 22.4 1.0 HA2 A:GLY288 2.7 39.2 1.0 NZ A:LYS293 2.9 29.1 1.0 O B:HOH714 3.1 39.3 1.0 HE B:ARG272 3.1 25.4 1.0 NH2 B:ARG272 3.1 27.1 1.0 HZ1 A:LYS293 3.1 34.9 1.0 N A:ALA289 3.2 18.6 1.0 HB3 A:ALA289 3.4 26.6 1.0 HZ2 A:LYS293 3.5 34.9 1.0 HE3 A:LYS293 3.5 34.8 1.0 CA A:GLY288 3.6 32.7 1.0 O B:HOH626 3.6 49.7 1.0 HH22 B:ARG272 3.6 32.6 1.0 CE A:LYS293 3.6 29.0 1.0 HE2 A:LYS293 3.8 34.8 1.0 NE B:ARG272 3.8 21.1 1.0 C A:GLY288 3.9 25.5 1.0 O B:HOH790 3.9 37.6 1.0 CZ B:ARG272 3.9 27.0 1.0 HA3 A:GLY288 4.0 39.2 1.0 O A:HOH606 4.0 56.2 1.0 CB A:ALA289 4.1 22.1 1.0 HB2 A:ALA289 4.1 26.6 1.0 CA A:ALA289 4.2 18.8 1.0 O A:ALA289 4.4 22.6 1.0 HB3 B:ARG272 4.4 21.8 1.0 H A:GLY288 4.5 36.8 1.0 HZ2 B:LYS273 4.5 41.6 1.0 N A:GLY288 4.5 30.7 1.0 C A:ALA289 4.7 19.7 1.0 O B:ARG272 4.8 19.8 1.0 O B:HOH763 4.8 33.5 1.0 HB1 A:ALA289 5.0 26.6 1.0 HZ1 B:LYS273 5.0 41.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of S-Adenosylmethionine Synthetase (Metk/Mat) From Cryptosporidium Parvum within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:47.9 occ:1.00 O C:HOH797 2.0 44.2 1.0 O C:HOH824 2.5 45.6 1.0 HE2 C:HIS34 2.7 29.1 1.0 HZ2 C:LYS273 2.8 33.1 1.0 HZ1 C:LYS189 3.0 44.5 1.0 HZ2 C:LYS189 3.1 44.5 1.0 O D:HOH727 3.3 39.7 1.0 HE1 C:HIS34 3.3 31.1 1.0 O C:HOH845 3.4 35.8 1.0 NE2 C:HIS34 3.4 24.3 1.0 NZ C:LYS189 3.5 37.1 1.0 O D:HOH619 3.5 39.9 1.0 O C:HOH623 3.6 41.5 1.0 NZ C:LYS273 3.6 27.6 1.0 CE1 C:HIS34 3.7 25.9 1.0 O D:HOH736 3.8 45.4 1.0 O C:HOH609 3.8 27.9 1.0 HZ3 C:LYS273 3.9 33.1 1.0 HE3 C:LYS273 4.0 30.0 1.0 OD2 D:ASP139 4.0 53.4 1.0 HZ3 C:LYS189 4.1 44.5 1.0 OD2 C:ASP36 4.1 22.7 1.0 HE3 C:LYS189 4.2 49.5 1.0 HZ1 C:LYS273 4.2 33.1 1.0 CE C:LYS273 4.2 25.0 1.0 HE2 C:LYS273 4.2 30.0 1.0 OD2 C:ASP266 4.3 45.3 1.0 O D:HOH742 4.4 43.9 1.0 O D:HOH749 4.4 52.2 1.0 CE C:LYS189 4.4 41.3 1.0 O C:HOH737 4.5 37.8 1.0 O C:HOH643 4.6 43.7 1.0 CD2 C:HIS34 4.7 23.3 1.0 O D:HOH778 4.7 41.3 1.0 MG C:MG503 4.8 37.3 0.9 HE2 C:LYS189 5.0 49.5 1.0 ND1 C:HIS34 5.0 25.3 1.0

J.Ohren, G.G.Parungao, R.E.Viola. Structure of A Critical Metabolic Enzyme: S-Adenosylmethionine Synthetase From Cryptosporidium Parvum. Acta Crystallogr F Struct V. 75 290 2019BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 30950830
DOI: 10.1107/S2053230X19002772