Zinc in PDB 8fta: Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16

The structure of Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16, PDB code: 8fta was solved by R.Nunez, B.C.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.51 / 1.78
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.657, 49.305, 33.544, 90, 97.75, 90
R / Rfree (%)	17.8 / 20.7

The structure of Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16 (pdb code 8fta). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16, PDB code: 8fta:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:17.7 occ:1.00 OXT A:GLU291 2.1 18.1 1.0 ND1 A:HIS290 2.2 18.4 1.0 N A:GLU291 3.0 16.9 1.0 C A:GLU291 3.0 19.2 1.0 CE1 A:HIS290 3.1 24.8 1.0 CG A:HIS290 3.3 20.5 1.0 CA A:GLU291 3.3 16.6 1.0 C A:HIS290 3.5 15.0 1.0 CB A:HIS290 3.6 17.4 1.0 CA A:HIS290 4.0 15.7 1.0 O A:HIS290 4.1 15.4 1.0 O A:GLU291 4.1 16.1 1.0 NE2 A:HIS290 4.3 25.9 1.0 O A:HOH483 4.3 20.6 1.0 CD2 A:HIS290 4.3 25.4 1.0 O A:HOH476 4.4 19.3 1.0 CB A:GLU291 4.8 20.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:17.6 occ:1.00 NE2 A:HIS289 2.1 15.6 1.0 O A:HOH518 2.2 8.6 1.0 O A:HOH521 2.3 12.5 1.0 CD2 A:HIS289 3.1 13.7 1.0 CE1 A:HIS289 3.1 14.5 1.0 ND1 A:HIS289 4.2 11.8 1.0 CG A:HIS289 4.2 13.1 1.0

R.Nunez, B.C.Smith. Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16 To Be Published.