Bromine in PDB 4c7b: Complex of Human SIRT3 with Bromo-Resveratrol and Fluor-De-Lys Peptide

The structure of Complex of Human SIRT3 with Bromo-Resveratrol and Fluor-De-Lys Peptide, PDB code: 4c7b was solved by G.T.T.Nguyen, M.Gertz, M.Weyand, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.13 / 2.20
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	114.820, 114.820, 123.750, 90.00, 90.00, 120.00
R / Rfree (%)	18.046 / 23.402

The structure of Complex of Human SIRT3 with Bromo-Resveratrol and Fluor-De-Lys Peptide also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Bromine atom in the Complex of Human SIRT3 with Bromo-Resveratrol and Fluor-De-Lys Peptide (pdb code 4c7b). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Complex of Human SIRT3 with Bromo-Resveratrol and Fluor-De-Lys Peptide, PDB code: 4c7b:

Bromine binding site 1 out of 1 in the Complex of Human SIRT3 with Bromo-Resveratrol and Fluor-De-Lys Peptide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Complex of Human SIRT3 with Bromo-Resveratrol and Fluor-De-Lys Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1395 b:76.2 occ:1.00 BR A:BVB1395 0.0 76.2 1.0 CAO A:BVB1395 2.0 71.8 1.0 CAG A:BVB1395 2.9 68.6 1.0 CAF A:BVB1395 3.0 68.1 1.0 CD1 A:LEU173 3.5 34.5 1.0 O A:PRO176 3.9 31.4 1.0 CG2 A:ILE179 4.0 26.6 1.0 NH2 A:ARG158 4.1 79.3 1.0 CAI A:BVB1395 4.2 73.7 1.0 CAH A:BVB1395 4.3 63.5 1.0 CA A:PRO176 4.5 33.4 1.0 CD1 A:ILE179 4.5 26.5 1.0 CB A:ILE179 4.6 27.0 1.0 C A:PRO176 4.6 32.4 1.0 NE A:ARG158 4.7 83.3 1.0 CB A:PRO176 4.7 33.7 1.0 CD1 A:TYR171 4.8 56.2 1.0 CZ A:ARG158 4.8 82.7 1.0 CAP A:BVB1395 4.8 68.9 1.0 CG A:TYR171 4.9 56.0 1.0

G.T.T.Nguyen, M.Gertz, C.Steegborn. Crystal Structures of SIRT3 Complexes with 4'-Bromo- Resveratrol Reveal Binding Sites and Inhibition Mechanism. Chem.Biol. V. 20 1375 2013.
ISSN: ISSN 1074-5521
PubMed: 24211137
DOI: 10.1016/J.CHEMBIOL.2013.09.019