Bromine in PDB 6fy8: The Crystal Structure of Encm Bromide Soak

The structure of The Crystal Structure of Encm Bromide Soak, PDB code: 6fy8 was solved by R.Saleem-Batcha, R.Teufel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.02 / 3.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.241, 87.172, 130.909, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 28.7

The binding sites of Bromine atom in the The Crystal Structure of Encm Bromide Soak (pdb code 6fy8). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the The Crystal Structure of Encm Bromide Soak, PDB code: 6fy8:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the The Crystal Structure of Encm Bromide Soak


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 Encm Bromide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:32.2 occ:1.00 CE1 A:HIS138 3.4 30.4 1.0 NE1 A:TRP37 3.5 44.5 1.0 CZ2 A:TRP37 3.7 47.4 1.0 C7M A:FAD501 3.8 38.3 1.0 CE2 A:TRP37 3.8 41.5 1.0 NE2 A:HIS138 4.3 30.0 1.0 CG1 A:VAL136 4.3 35.3 1.0 ND1 A:HIS138 4.4 31.2 1.0 CE1 A:HIS78 4.4 30.3 1.0 CD1 A:TRP37 4.6 44.0 1.0 CD A:PRO319 4.7 57.7 1.0 CH2 A:TRP37 4.8 46.9 1.0 CG2 A:VAL318 4.8 60.3 1.0 CG2 A:VAL136 5.0 31.3 1.0

Bromine binding site 2 out of 2 in the The Crystal Structure of Encm Bromide Soak


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Crystal Structure of Encm Bromide Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:32.2 occ:1.00 N A:ASP87 2.8 54.0 1.0 CA A:CYS86 3.4 46.4 1.0 C A:CYS86 3.5 52.5 1.0 CB A:ASP87 3.6 55.7 1.0 CD2 A:LEU70 3.7 58.9 1.0 CA A:ASP87 3.7 55.6 1.0 CB A:CYS86 3.9 46.3 1.0 CD A:ARG43 4.1 44.9 1.0 CD2 A:LEU455 4.2 45.6 1.0 CD1 A:LEU455 4.2 52.8 1.0 NH1 A:ARG43 4.2 49.9 1.0 NE A:ARG43 4.4 43.3 1.0 O A:VAL85 4.4 43.3 1.0 CZ A:ARG43 4.5 51.8 1.0 C A:ASP87 4.5 59.1 1.0 N A:CYS86 4.7 43.4 1.0 O A:CYS86 4.7 48.4 1.0 CG A:LEU70 4.7 54.3 1.0 CG A:LEU455 4.8 50.9 1.0 O A:ASP87 4.8 65.0 1.0 CG A:ASP87 4.9 55.2 1.0

R.Saleem-Batcha, F.Stull, J.N.Sanders, B.S.Moore, B.A.Palfey, K.N.Houk, R.Teufel. Enzymatic Control of Dioxygen Binding and Functionalization of the Flavin Cofactor. Proc. Natl. Acad. Sci. V. 115 4909 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29686059
DOI: 10.1073/PNAS.1801189115