Bromine in PDB 7z57: Crystal Structure of Human Serum Albumin in Complex with Surfactant Genx (2,3,3,3-Tetrafluoro-2-(Heptafluoropropoxy) Propanoate)

The structure of Crystal Structure of Human Serum Albumin in Complex with Surfactant Genx (2,3,3,3-Tetrafluoro-2-(Heptafluoropropoxy) Propanoate), PDB code: 7z57 was solved by S.Liberi, G.Moro, F.Vascon, S.Linciano, L.De Toni, A.Angelin, L.Cendron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.16 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.89, 38.769, 96.446, 90, 105, 90
R / Rfree (%)	23.7 / 26.4

The structure of Crystal Structure of Human Serum Albumin in Complex with Surfactant Genx (2,3,3,3-Tetrafluoro-2-(Heptafluoropropoxy) Propanoate) also contains other interesting chemical elements:

Fluorine

(F)

22 atoms

The binding sites of Bromine atom in the Crystal Structure of Human Serum Albumin in Complex with Surfactant Genx (2,3,3,3-Tetrafluoro-2-(Heptafluoropropoxy) Propanoate) (pdb code 7z57). 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 Human Serum Albumin in Complex with Surfactant Genx (2,3,3,3-Tetrafluoro-2-(Heptafluoropropoxy) Propanoate), PDB code: 7z57:

Bromine binding site 1 out of 1 in the Crystal Structure of Human Serum Albumin in Complex with Surfactant Genx (2,3,3,3-Tetrafluoro-2-(Heptafluoropropoxy) Propanoate)


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 Human Serum Albumin in Complex with Surfactant Genx (2,3,3,3-Tetrafluoro-2-(Heptafluoropropoxy) Propanoate) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br614 b:30.0 occ:1.00 OG A:SER419 3.5 48.2 1.0 OG1 A:THR422 3.8 49.1 1.0 N A:SER419 3.8 46.4 1.0 CB A:SER419 3.9 46.3 1.0 CB A:THR422 4.3 47.3 1.0 CG1 A:VAL469 4.3 58.0 1.0 CA A:SER419 4.5 50.2 1.0 O A:THR467 4.5 62.5 1.0 CG2 A:THR422 4.5 42.6 1.0 CG1 A:VAL418 4.6 46.8 1.0 CA A:VAL418 4.8 50.2 1.0 C A:VAL418 4.8 50.0 1.0

G.Moro, S.Liberi, F.Vascon, S.Linciano, S.De Felice, S.Fasolato, C.Foresta, L.De Toni, A.Di Nisio, L.Cendron, A.Angelini. Investigation of the Interaction Between Human Serum Albumin and Branched Short-Chain Perfluoroalkyl Compounds. Chem.Res.Toxicol. V. 35 2049 2022.
ISSN: ISSN 0893-228X
PubMed: 36148994
DOI: 10.1021/ACS.CHEMRESTOX.2C00211