Bromine in PDB 7tzy: The Crystal Structure of Wt CYP199A4 Bound to 4-(2-Bromoethyl)Benzoic Acid

The structure of The Crystal Structure of Wt CYP199A4 Bound to 4-(2-Bromoethyl)Benzoic Acid, PDB code: 7tzy was solved by M.N.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.42 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.048, 51.3, 78.879, 90, 92.01, 90
R / Rfree (%)	16.4 / 20.4

The structure of The Crystal Structure of Wt CYP199A4 Bound to 4-(2-Bromoethyl)Benzoic Acid also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Bromine atom in the The Crystal Structure of Wt CYP199A4 Bound to 4-(2-Bromoethyl)Benzoic Acid (pdb code 7tzy). 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 The Crystal Structure of Wt CYP199A4 Bound to 4-(2-Bromoethyl)Benzoic Acid, PDB code: 7tzy:

Bromine binding site 1 out of 1 in the The Crystal Structure of Wt CYP199A4 Bound to 4-(2-Bromoethyl)Benzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Crystal Structure of Wt CYP199A4 Bound to 4-(2-Bromoethyl)Benzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:24.4 occ:0.83 BR09 A:L3K501 0.0 24.4 0.8 C08 A:L3K501 1.9 17.9 0.8 H082 A:L3K501 2.4 21.5 0.8 H081 A:L3K501 2.4 21.5 0.8 H071 A:L3K501 2.7 18.8 0.8 C07 A:L3K501 2.8 15.7 0.8 NA A:HEM502 3.1 12.5 1.0 FE A:HEM502 3.2 16.2 1.0 NB A:HEM502 3.4 14.5 1.0 CG2 A:THR252 3.5 14.2 1.0 C4A A:HEM502 3.5 19.0 1.0 H072 A:L3K501 3.6 18.8 0.8 C06 A:L3K501 3.7 14.7 0.8 H011 A:L3K501 3.7 15.8 0.8 CHB A:HEM502 3.8 14.7 1.0 C1B A:HEM502 3.8 17.1 1.0 ND A:HEM502 3.8 16.0 1.0 CB A:ALA248 3.9 15.3 1.0 CZ A:PHE182 3.9 18.9 1.0 C1A A:HEM502 3.9 16.7 1.0 C01 A:L3K501 4.0 13.1 0.8 NC A:HEM502 4.0 16.7 1.0 CE1 A:PHE182 4.1 16.3 1.0 C4D A:HEM502 4.3 14.7 1.0 O A:ALA248 4.4 16.9 1.0 C4B A:HEM502 4.4 17.2 1.0 CG2 A:VAL295 4.4 16.4 1.0 CHA A:HEM502 4.4 16.1 1.0 C3A A:HEM502 4.5 16.9 1.0 CA A:ALA248 4.5 14.7 1.0 C1D A:HEM502 4.6 16.8 1.0 C2A A:HEM502 4.6 16.8 1.0 C05 A:L3K501 4.7 15.7 0.8 CB A:THR252 4.7 14.2 1.0 C1C A:HEM502 4.8 15.6 1.0 C4C A:HEM502 4.8 16.6 1.0 H051 A:L3K501 4.9 18.8 0.8 C2B A:HEM502 4.9 14.5 1.0 CHC A:HEM502 4.9 15.4 1.0 CHD A:HEM502 5.0 14.8 1.0 C A:ALA248 5.0 15.7 1.0

M.N.Podgorski, S.G.Bell. The Crystal Structure of Wt CYP199A4 Bound to 4-(2-Bromoethyl)Benzoic Acid To Be Published.