Chlorine in PDB 5few: Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine (Final Product)

The structure of Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine (Final Product), PDB code: 5few 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)	43.90 / 1.17
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.990, 78.970, 86.270, 90.00, 90.00, 90.00
R / Rfree (%)	11 / 13.2

The structure of Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine (Final Product) 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 (Final Product) (pdb code 5few). 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 (Final Product), PDB code: 5few:
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 (Final Product)


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 (Final Product) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:16.4 occ:1.00 OG1 A:THR134 3.0 10.3 1.0 NH1 A:ARG155 3.3 10.8 1.0 O A:HOH767 3.4 19.5 1.0 NE A:ARG54 3.5 12.3 1.0 CD A:ARG54 3.7 11.8 1.0 CD A:ARG155 3.8 11.4 1.0 SD A:MET224 3.8 13.8 0.4 CB A:THR134 3.8 9.2 1.0 CG2 A:THR134 3.8 9.9 1.0 CG2 A:THR103 3.9 10.2 1.0 CG A:ARG54 4.0 12.5 1.0 CZ A:ARG54 4.0 11.4 1.0 CZ A:ARG155 4.2 10.3 1.0 NH2 A:ARG54 4.3 14.8 1.0 NE A:ARG155 4.4 10.9 1.0 CG2 A:VAL105 4.5 10.7 1.0 CE A:MET224 4.5 14.6 0.6 O A:HOH898 4.5 29.3 1.0 CB A:ARG54 4.6 11.9 1.0 CE A:MET291 4.6 21.4 0.4 CG A:ARG155 4.7 10.3 1.0 CB A:ARG155 4.7 9.4 1.0 NH1 A:ARG54 4.8 12.1 1.0 CD2 A:LEU157 4.8 19.3 1.0 CB A:THR103 4.9 9.9 1.0 OG1 A:THR103 4.9 10.3 1.0 CE A:MET224 5.0 13.8 0.4

Chlorine binding site 2 out of 2 in the Hyde From T. Maritima in Complex with S-Adenosyl-L-Cysteine (Final Product)


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 (Final Product) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:27.7 occ:0.50 OAA A:41K412 1.2 11.7 0.1 CAE A:41K412 1.3 14.6 0.1 OAD A:41K412 1.5 16.1 0.1 CAF A:41K412 2.8 16.6 0.1 O A:HOH706 3.0 20.5 1.0 NH2 A:ARG159 3.3 21.9 1.0 N A:5X8410 3.4 22.9 0.8 O A:HOH839 3.5 25.7 1.0 N A:41K412 3.5 19.3 0.1 O A:HOH679 3.6 57.0 0.9 CAB A:41K412 3.6 19.7 0.1 CG A:PRO266 3.8 10.7 0.8 SAK A:41K412 3.8 16.3 0.1 CG2 A:THR268 3.9 13.3 1.0 CA A:GLY226 3.9 10.8 1.0 SD A:MET291 3.9 15.8 0.4 NE A:ARG159 4.0 18.9 1.0 CZ A:ARG159 4.1 18.8 1.0 CG A:PRO266 4.2 10.2 0.2 SG A:5X8410 4.4 18.2 0.8 CE A:MET291 4.5 21.4 0.4 CB A:PRO266 4.6 9.8 0.8 CB A:PRO266 4.6 10.7 0.2 O A:HOH709 4.6 19.5 1.0 C A:GLY226 4.7 10.8 1.0 CA A:5X8410 4.7 19.5 0.8 O A:HOH898 4.8 29.3 1.0 SD A:MET291 4.8 19.8 0.6 CA A:41K412 4.8 18.1 0.1 N A:GLY226 4.9 10.2 1.0 O A:HOH731 4.9 18.9 1.0 CD A:PRO266 5.0 10.9 0.2 CB A:THR268 5.0 12.7 1.0 CD A:PRO266 5.0 10.7 0.8 CD1 A:LEU157 5.0 18.4 1.0 CB A:41K412 5.0 18.8 0.1

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