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Chlorine in PDB 5ff4: Hyde From T. Maritima in Complex with (2R,4R)-Tmetda

Protein crystallography data

The structure of Hyde From T. Maritima in Complex with (2R,4R)-Tmetda, PDB code: 5ff4 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) 43.08 / 1.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.110, 79.380, 86.160, 90.00, 90.00, 90.00
R / Rfree (%) 11.6 / 15.3

Other elements in 5ff4:

The structure of Hyde From T. Maritima in Complex with (2R,4R)-Tmetda also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hyde From T. Maritima in Complex with (2R,4R)-Tmetda (pdb code 5ff4). 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)-Tmetda, PDB code: 5ff4:

Chlorine binding site 1 out of 1 in 5ff4

Go back to Chlorine Binding Sites List in 5ff4
Chlorine binding site 1 out of 1 in the Hyde From T. Maritima in Complex with (2R,4R)-Tmetda


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)-Tmetda within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:13.8
occ:1.00
OG1 A:THR134 3.1 11.3 1.0
O A:HOH759 3.2 14.8 1.0
NH1 A:ARG155 3.3 11.6 1.0
NE A:ARG54 3.5 12.1 1.0
CD A:ARG54 3.6 11.9 1.0
CD A:ARG155 3.8 11.6 1.0
CG2 A:THR134 3.8 10.8 1.0
CB A:THR134 3.8 11.1 1.0
CG2 A:THR103 3.8 10.6 1.0
CG A:ARG54 3.9 11.6 1.0
SD A:MET224 3.9 13.3 0.4
CZ A:ARG54 4.0 12.2 1.0
CZ A:ARG155 4.3 12.2 1.0
NH2 A:ARG54 4.3 13.7 1.0
CB A:ARG54 4.4 11.5 1.0
NE A:ARG155 4.4 12.4 1.0
CE A:MET224 4.4 14.8 0.6
CG2 A:VAL105 4.4 11.7 1.0
CG A:ARG155 4.7 11.5 1.0
NH1 A:ARG54 4.7 10.6 1.0
O A:HOH950 4.7 18.5 1.0
CB A:ARG155 4.8 11.0 1.0
CD2 A:LEU157 4.8 19.1 1.0
CB A:THR103 4.8 10.7 1.0
OG1 A:THR103 4.9 10.7 1.0
CE A:MET224 5.0 17.0 0.4

Reference:

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
Page generated: Fri Jul 26 07:50:20 2024

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