Chlorine in PDB 5ff2: Hyde From T. Maritima in Complex with (2R,4R)-Tda

The structure of Hyde From T. Maritima in Complex with (2R,4R)-Tda, PDB code: 5ff2 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)	38.47 / 1.47
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.230, 79.090, 86.100, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 18.7

The structure of Hyde From T. Maritima in Complex with (2R,4R)-Tda 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 (2R,4R)-Tda (pdb code 5ff2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Hyde From T. Maritima in Complex with (2R,4R)-Tda, PDB code: 5ff2:

Chlorine binding site 1 out of 1 in the Hyde From T. Maritima in Complex with (2R,4R)-Tda


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 (2R,4R)-Tda within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:14.9 occ:1.00 OG1 A:THR134 3.0 10.9 1.0 O A:HOH713 3.2 17.4 1.0 NH1 A:ARG155 3.3 12.2 1.0 NE A:ARG54 3.5 12.5 1.0 CD A:ARG54 3.7 12.5 1.0 CD A:ARG155 3.7 12.0 1.0 CG2 A:THR103 3.8 11.5 1.0 CG2 A:THR134 3.8 10.4 1.0 CB A:THR134 3.8 9.7 1.0 SD A:MET224 3.8 18.6 0.6 CG A:ARG54 3.9 13.1 1.0 CZ A:ARG54 4.0 13.0 1.0 CZ A:ARG155 4.2 12.8 1.0 NH2 A:ARG54 4.3 15.2 1.0 NE A:ARG155 4.4 13.2 1.0 CG2 A:VAL105 4.4 13.2 1.0 CB A:ARG54 4.5 12.3 1.0 CE A:MET224 4.5 12.9 0.4 O A:HOH929 4.6 26.6 1.0 CE A:MET291 4.6 25.7 0.5 CG A:ARG155 4.7 11.2 1.0 NH1 A:ARG54 4.7 12.6 1.0 CB A:ARG155 4.8 10.0 1.0 CB A:THR103 4.8 11.4 1.0 CD2 A:LEU157 4.8 17.8 1.0 OG1 A:THR103 4.9 11.2 1.0 CE A:MET224 5.0 15.7 0.6

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