Bromine in PDB 5gxf: Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3

All present enzymatic activity of Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3:
1.3.1.84;

The structure of Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3, PDB code: 5gxf was solved by Y.Z.Zhang, P.Wang, H.Y.Cao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.57 / 2.29
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.841, 111.218, 75.241, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 23.9

The binding sites of Bromine atom in the Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3 (pdb code 5gxf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3, PDB code: 5gxf:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:36.6 occ:1.00 O A:HOH594 3.4 28.7 1.0 N A:GLY157 3.5 16.5 1.0 CG1 A:VAL180 3.6 18.9 1.0 CA A:GLY157 3.6 16.9 1.0 NE A:ARG201 3.7 37.6 1.0 CE A:MET228 3.8 19.6 1.0 O A:VAL180 3.9 22.3 1.0 CA A:THR181 3.9 25.7 1.0 CB A:ARG201 4.0 24.5 1.0 C A:VAL180 4.1 23.4 1.0 CG A:ARG201 4.1 26.7 1.0 N A:THR181 4.1 24.3 1.0 NH2 A:ARG201 4.2 34.5 1.0 CG2 A:VAL224 4.2 16.8 1.0 O A:HOH666 4.3 25.8 1.0 N A:GLY182 4.3 34.5 1.0 O A:HOH742 4.3 35.8 1.0 CZ A:ARG201 4.3 41.1 1.0 CB A:VAL180 4.3 18.0 1.0 C A:THR181 4.4 26.0 1.0 CD A:ARG201 4.5 29.8 1.0 SD A:MET228 4.6 17.5 1.0 C A:THR156 4.7 16.8 1.0 C A:GLY157 4.8 15.2 1.0 CA A:ARG201 4.8 26.6 1.0 CA A:VAL180 4.9 16.8 1.0

Bromine binding site 2 out of 2 in the Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:39.2 occ:1.00 N B:GLY157 3.5 21.4 1.0 CA B:GLY157 3.7 17.5 1.0 O B:HOH659 3.7 34.9 1.0 CD B:ARG201 3.7 30.9 1.0 CG1 B:VAL180 3.8 22.4 1.0 CE B:MET228 3.9 20.1 1.0 O B:VAL180 4.0 20.4 1.0 CA B:THR181 4.0 30.7 1.0 CB B:ARG201 4.1 32.5 1.0 CG2 B:VAL224 4.1 22.2 1.0 C B:VAL180 4.1 25.1 1.0 N B:THR181 4.2 26.3 1.0 O B:HOH636 4.2 27.1 1.0 N B:GLY182 4.3 33.4 1.0 CG B:ARG201 4.4 33.2 1.0 CB B:VAL180 4.4 20.6 1.0 C B:THR181 4.5 29.8 1.0 SD B:MET228 4.6 23.6 1.0 C B:THR156 4.7 19.9 1.0 NE B:ARG201 4.8 42.6 1.0 C B:GLY157 4.8 21.3 1.0 CA B:VAL180 5.0 20.5 1.0 CA B:ARG201 5.0 31.8 1.0

Y.Z.Zhang, P.Wang, H.Y.Cao. Acryloyl-Coa Reductase Acui From Ruegeria Pomeroyi Dss-3 To Be Published.