Chlorine in PDB 5ff0: Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine and Methionine

The structure of Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine and Methionine, PDB code: 5ff0 was solved by R.Rohac, P.Amara, A.Benjdia, L.Martin, P.Ruffie, A.Favier, O.Berteau, J.M.Mouesca, J.C.Fontecilla-Camps, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.84 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.890, 79.340, 86.200, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 16.9

The structure of Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine and Methionine also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine and Methionine (pdb code 5ff0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine and Methionine, PDB code: 5ff0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine and Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:16.8 occ:1.00 OG1 A:THR134 3.1 12.4 1.0 O A:HOH759 3.2 20.2 1.0 NH1 A:ARG155 3.3 11.8 1.0 NE A:ARG54 3.5 14.8 1.0 CD A:ARG54 3.7 13.3 1.0 CD A:ARG155 3.8 13.2 1.0 SD A:MET224 3.8 13.0 0.4 CB A:THR134 3.8 12.6 1.0 CG2 A:THR134 3.8 11.1 1.0 CG2 A:THR103 3.9 11.7 1.0 CG A:ARG54 4.0 14.5 1.0 CZ A:ARG54 4.0 14.2 1.0 CZ A:ARG155 4.2 12.5 1.0 NH2 A:ARG54 4.3 14.8 1.0 NE A:ARG155 4.4 13.3 1.0 CE A:MET224 4.4 20.0 0.6 CG2 A:VAL105 4.5 12.5 1.0 O A:HOH979 4.5 25.0 1.0 CB A:ARG54 4.5 12.9 1.0 CG A:ARG155 4.7 12.2 1.0 CB A:ARG155 4.8 11.8 1.0 NH1 A:ARG54 4.8 13.4 1.0 CD2 A:LEU157 4.8 20.1 1.0 CB A:THR103 4.8 12.2 1.0 OG1 A:THR103 4.9 11.3 1.0 CE A:MET224 5.0 13.1 0.4

Chlorine binding site 2 out of 2 in the Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine and Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:18.7 occ:0.70 O A:HOH847 3.0 18.4 1.0 NH2 A:ARG159 3.2 18.4 1.0 O A:HOH875 3.3 18.3 1.0 N A:5X8409 3.6 23.4 1.0 CE A:MET291 3.7 16.9 0.2 CG A:PRO266 3.7 14.7 1.0 CA A:GLY226 3.7 12.5 1.0 O A:HOH866 3.8 16.7 0.2 NE A:ARG159 3.9 17.0 1.0 CG2 A:THR268 4.0 13.9 1.0 CZ A:ARG159 4.1 17.9 1.0 SD A:MET291 4.2 31.8 0.8 SG A:5X8409 4.5 20.6 1.0 CB A:PRO266 4.6 11.9 1.0 O A:HOH737 4.6 18.0 1.0 C A:GLY226 4.6 13.7 1.0 O A:HOH979 4.7 25.0 1.0 N A:GLY226 4.7 12.6 1.0 CA A:5X8409 4.8 20.0 1.0 CD A:PRO266 4.8 14.0 1.0 SD A:MET291 4.9 15.7 0.2 O A:HOH768 5.0 16.9 1.0 CD1 A:LEU157 5.0 18.3 1.0

R.Rohac, P.Amara, A.Benjdia, L.Martin, P.Ruffie, A.Favier, O.Berteau, J.M.Mouesca, J.C.Fontecilla-Camps, Y.Nicolet. Carbon-Sulfur Bond-Forming Reaction Catalysed By the Radical Sam Enzyme Hyde. Nat.Chem. V. 8 491 2016.
ISSN: ESSN 1755-4349
PubMed: 27102684
DOI: 10.1038/NCHEM.2490