Bromine in PDB 6xaw: Crystal Structure Analysis of SIN3-UME6

The structure of Crystal Structure Analysis of SIN3-UME6, PDB code: 6xaw was solved by H.-S.Seo, S.Dhe-Paganon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.99 / 1.84
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.77, 56.77, 63.9, 90, 90, 90
R / Rfree (%)	19.2 / 21.2

The binding sites of Bromine atom in the Crystal Structure Analysis of SIN3-UME6 (pdb code 6xaw). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure Analysis of SIN3-UME6, PDB code: 6xaw:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure Analysis of SIN3-UME6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure Analysis of SIN3-UME6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:28.9 occ:0.56 O A:HOH667 3.1 53.9 1.0 O A:HOH671 3.2 44.5 1.0 ND2 A:ASN459 3.3 53.0 1.0 OE1 A:GLN425 3.5 27.3 1.0 O A:HOH615 3.9 41.3 1.0 NE2 A:GLN425 4.3 23.0 1.0 CD A:GLN425 4.3 33.3 1.0 CG A:ASN459 4.3 48.5 1.0 CB A:ASN459 4.4 28.6 1.0 CE1 A:PHE422 4.6 20.3 1.0 O A:HOH621 4.9 26.3 1.0

Bromine binding site 2 out of 4 in the Crystal Structure Analysis of SIN3-UME6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure Analysis of SIN3-UME6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:46.2 occ:0.35 O B:LEU516 2.5 60.3 1.0 OH A:TYR429 2.8 21.9 1.0 NZ A:LYS419 2.8 48.6 1.0 O B:HOH608 2.9 54.2 1.0 C B:LEU516 3.3 66.9 1.0 CE2 A:TYR429 3.5 20.8 1.0 CZ A:TYR429 3.6 22.1 1.0 CB B:ASP519 3.7 39.4 1.0 CA B:LEU516 3.8 69.2 1.0 CE A:LYS419 3.9 45.5 1.0 N B:LEU520 3.9 31.2 1.0 CD A:LYS419 4.1 31.8 1.0 N B:LEU516 4.2 61.7 1.0 CB B:LEU520 4.3 36.4 1.0 N B:ASP517 4.4 66.6 1.0 C B:ASP519 4.5 33.1 1.0 CA B:ASP519 4.5 31.9 1.0 O A:HOH623 4.6 48.0 1.0 CA B:LEU520 4.6 30.5 1.0 OD2 B:ASP519 4.7 48.7 1.0 N B:ASP519 4.7 28.4 1.0 CG B:ASP519 4.7 50.7 1.0 CD2 A:TYR429 4.8 19.9 1.0 CD1 A:LEU433 4.8 21.2 1.0 CE1 A:TYR429 4.9 21.7 1.0 O A:HOH670 5.0 58.3 1.0 CA B:ASP517 5.0 54.5 1.0

Bromine binding site 3 out of 4 in the Crystal Structure Analysis of SIN3-UME6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure Analysis of SIN3-UME6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:42.2 occ:0.35 O A:HOH649 2.3 36.0 1.0 O A:HOH635 3.0 50.3 1.0 O A:HOH638 3.4 35.9 1.0 CG2 A:THR438 3.9 26.1 1.0 CB A:THR438 4.0 24.6 1.0 CG A:GLN452 4.2 24.1 1.0 CA A:ILE435 4.2 21.8 1.0 CG1 A:ILE435 4.2 21.9 1.0 OG1 A:THR438 4.3 26.4 1.0 CD A:GLN452 4.3 34.6 1.0 OE1 A:GLN452 4.5 34.5 1.0 CB A:ILE435 4.6 19.8 1.0 NE2 A:GLN452 4.7 37.3 1.0 O A:GLU434 4.9 25.7 1.0 CG2 A:ILE435 4.9 21.7 1.0 O A:ILE435 4.9 19.0 1.0 N A:ILE435 4.9 22.7 1.0 CB A:GLN452 5.0 20.8 1.0

Bromine binding site 4 out of 4 in the Crystal Structure Analysis of SIN3-UME6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure Analysis of SIN3-UME6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:50.5 occ:0.43 O A:HOH663 2.1 52.8 1.0 CB A:ASP427 3.2 44.0 1.0 N A:ASP427 3.2 24.8 1.0 CA A:GLN425 3.4 25.6 1.0 C A:GLN425 3.4 24.1 1.0 N A:PRO426 3.6 24.7 1.0 CG A:ASP427 3.7 65.5 1.0 CD A:PRO426 3.7 27.2 1.0 CA A:ASP427 3.8 35.0 1.0 OD2 A:ASP427 3.8 75.0 1.0 CB A:GLN425 3.9 26.6 1.0 O A:GLN425 3.9 23.6 1.0 C A:PRO426 4.3 25.0 1.0 CG A:PRO426 4.3 33.2 1.0 CA A:PRO426 4.5 22.9 1.0 N A:ILE428 4.5 22.1 1.0 OD1 A:ASP427 4.5 68.9 1.0 N A:GLN425 4.7 26.3 1.0 O A:ASP424 4.7 25.9 1.0 C A:ASP427 4.7 24.9 1.0 CG A:GLN425 4.8 26.1 1.0

H.-S.Seo, H.-S.Seo, S.Dhe-Paganon. N/A N/A.