Bromine in PDB 1fyl: Serendipitous Crystal Structure Containing the Heat Shock Transcription Factor'S Dna Binding Domain and Cognate Dna in A Head- to-Head Orientation

The structure of Serendipitous Crystal Structure Containing the Heat Shock Transcription Factor'S Dna Binding Domain and Cognate Dna in A Head- to-Head Orientation, PDB code: 1fyl was solved by O.Littlefield, H.C.M.Nelson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.140, 33.730, 77.840, 90.00, 118.35, 90.00
R / Rfree (%)	21.3 / 30

The binding sites of Bromine atom in the Serendipitous Crystal Structure Containing the Heat Shock Transcription Factor'S Dna Binding Domain and Cognate Dna in A Head- to-Head Orientation (pdb code 1fyl). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Serendipitous Crystal Structure Containing the Heat Shock Transcription Factor'S Dna Binding Domain and Cognate Dna in A Head- to-Head Orientation, PDB code: 1fyl:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Serendipitous Crystal Structure Containing the Heat Shock Transcription Factor'S Dna Binding Domain and Cognate Dna in A Head- to-Head Orientation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Serendipitous Crystal Structure Containing the Heat Shock Transcription Factor'S Dna Binding Domain and Cognate Dna in A Head- to-Head Orientation within 5.0Å range: probe atom residue distance (Å) B Occ C:Br12 b:13.1 occ:1.00 BR C:BRU12 0.0 13.1 1.0 C5 C:BRU12 1.8 11.7 1.0 C6 C:BRU12 2.8 9.7 1.0 C4 C:BRU12 2.8 11.3 1.0 O4 C:BRU12 3.1 6.8 1.0 C6 C:DC11 3.7 9.0 1.0 N1 C:DC11 3.8 7.8 1.0 O C:HOH17 3.9 21.1 1.0 C2' C:DC11 3.9 12.9 1.0 C5 C:DC11 3.9 4.7 1.0 N3 C:BRU12 4.1 11.3 1.0 N1 C:BRU12 4.1 11.2 1.0 C2 C:DC11 4.2 5.4 1.0 C4 C:DC11 4.3 2.7 1.0 C1' C:DC11 4.3 12.1 1.0 N3 C:DC11 4.4 5.5 1.0 C2 C:BRU12 4.7 11.8 1.0 O2 C:DC11 4.8 7.1 1.0

Bromine binding site 2 out of 2 in the Serendipitous Crystal Structure Containing the Heat Shock Transcription Factor'S Dna Binding Domain and Cognate Dna in A Head- to-Head Orientation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Serendipitous Crystal Structure Containing the Heat Shock Transcription Factor'S Dna Binding Domain and Cognate Dna in A Head- to-Head Orientation within 5.0Å range: probe atom residue distance (Å) B Occ D:Br12 b:14.5 occ:1.00 BR D:BRU12 0.0 14.5 1.0 C5 D:BRU12 1.8 7.4 1.0 C6 D:BRU12 2.8 8.3 1.0 C4 D:BRU12 2.8 4.8 1.0 O4 D:BRU12 3.1 5.7 1.0 O D:HOH17 3.5 14.8 1.0 C6 D:DC11 3.5 2.0 1.0 C2' D:DC11 3.7 6.0 1.0 N1 D:DC11 3.8 5.7 1.0 C5 D:DC11 3.9 2.7 1.0 O D:HOH40 3.9 16.5 1.0 N3 D:BRU12 4.1 2.0 1.0 N1 D:BRU12 4.1 3.7 1.0 C1' D:DC11 4.2 6.6 1.0 C2 D:DC11 4.5 7.2 1.0 C4 D:DC11 4.5 2.0 1.0 C2 D:BRU12 4.7 5.5 1.0 N3 D:DC11 4.8 4.4 1.0 OP2 D:BRU12 5.0 12.2 1.0

O.Littlefield, H.C.Nelson. Crystal Packing Interaction That Blocks Crystallization of A Site-Specific Dna Binding Protein-Dna Complex. Proteins V. 45 219 2001.
ISSN: ISSN 0887-3585
PubMed: 11599025
DOI: 10.1002/PROT.1142