Bromine in PDB 9fs4: Crystal Structure of 14-3-3 Sigma in Complex with Tau PS214 Peptide and Covalent Stabilizer LD12

The structure of Crystal Structure of 14-3-3 Sigma in Complex with Tau PS214 Peptide and Covalent Stabilizer LD12, PDB code: 9fs4 was solved by M.C.M.Oetelaar, C.Ottmann, L.Brunsveld, S.F.H.Engelen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.39 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.343, 112.226, 62.42, 90, 90, 90
R / Rfree (%)	18.2 / 19.8

The binding sites of Bromine atom in the Crystal Structure of 14-3-3 Sigma in Complex with Tau PS214 Peptide and Covalent Stabilizer LD12 (pdb code 9fs4). 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 Crystal Structure of 14-3-3 Sigma in Complex with Tau PS214 Peptide and Covalent Stabilizer LD12, PDB code: 9fs4:

Bromine binding site 1 out of 1 in the Crystal Structure of 14-3-3 Sigma in Complex with Tau PS214 Peptide and Covalent Stabilizer LD12


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of 14-3-3 Sigma in Complex with Tau PS214 Peptide and Covalent Stabilizer LD12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:35.6 occ:1.00 BR5 A:TJ8301 0.0 35.6 1.0 C04 A:TJ8301 1.9 29.7 1.0 C06 A:TJ8301 2.9 32.6 1.0 C03 A:TJ8301 2.9 26.6 1.0 C02 A:TJ8301 3.1 25.3 1.0 OG A:SER45 3.5 21.9 1.0 CE2 A:PHE119 3.5 25.4 1.0 O A:HOH523 3.6 37.4 1.0 O A:HOH493 3.6 25.6 1.0 O A:HOH554 3.7 37.2 1.0 CZ A:PHE119 3.7 18.8 1.0 O P:HOH302 3.7 40.7 1.0 ND2 A:ASN42 4.0 30.2 1.0 O A:HOH533 4.0 25.4 1.0 CB A:SER45 4.1 16.9 1.0 C09 A:TJ8301 4.1 30.9 1.0 C07 A:TJ8301 4.2 24.1 1.0 NZ A:LYS122 4.5 25.2 1.0 CD2 A:PHE119 4.6 21.9 1.0 C08 A:TJ8301 4.7 34.6 1.0 CE1 A:PHE119 4.8 21.0 1.0 O A:HOH454 4.8 37.4 1.0 CD2 P:LEU215 4.8 27.9 1.0

A.O.Oberheide, M.C.M.Van Den Oetelaar, J.J.A.Scheele, C.Ottmann, P.Cossar, L.Brunsveld, S.F.H.Engelen. Site-Selective Stabilization of the 14-3-3/Tau Protein-Protein Interaction To Be Published.