Chlorine in PDB 3hmf: Crystal Structure of the Second Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1)

The structure of Crystal Structure of the Second Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1), PDB code: 3hmf was solved by P.Filippakopoulos, S.Picaud, T.Keates, J.Muniz, F.Von Delft, C.H.Arrowsmith, A.Edwards, J.Weigelt, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.18 / 1.63
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.810, 49.360, 33.610, 90.00, 97.91, 90.00
R / Rfree (%)	17.1 / 19.9

The structure of Crystal Structure of the Second Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Second Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) (pdb code 3hmf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Second Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1), PDB code: 3hmf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Second Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Second Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl293 b:15.1 occ:1.00 ZN A:ZN1 2.2 12.6 1.0 NE2 A:HIS289 3.5 11.4 1.0 C1 A:EDO292 3.5 17.3 1.0 O1 A:EDO292 3.6 20.5 1.0 CL A:CL294 3.7 20.8 1.0 CE1 A:HIS289 3.8 9.2 1.0 C2 A:EDO292 3.9 13.0 1.0 O A:HOH321 4.1 41.5 1.0 CD2 A:HIS289 4.8 10.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Second Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Second Bromodomain of Human Poly-Bromodomain Containing Protein 1 (PB1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl294 b:20.8 occ:1.00 ZN A:ZN1 2.2 12.6 1.0 O A:HOH321 3.1 41.5 1.0 NE2 A:HIS289 3.4 11.4 1.0 CD2 A:HIS289 3.7 10.1 1.0 CL A:CL293 3.7 15.1 1.0 OE1 A:GLU288 4.2 23.0 1.0 CB A:GLU288 4.3 13.2 1.0 C2 A:EDO292 4.3 13.0 1.0 CE1 A:HIS289 4.6 9.2 1.0 CD A:GLU288 4.6 20.0 1.0 O A:HOH120 4.7 37.6 1.0 O A:GLU288 4.9 14.5 1.0 O1 A:EDO292 4.9 20.5 1.0 CG A:HIS289 5.0 7.5 1.0 C1 A:EDO292 5.0 17.3 1.0

P.Filippakopoulos, S.Picaud, M.Mangos, T.Keates, J.P.Lambert, D.Barsyte-Lovejoy, I.Felletar, R.Volkmer, S.Muller, T.Pawson, A.C.Gingras, C.H.Arrowsmith, S.Knapp. Histone Recognition and Large-Scale Structural Analysis of the Human Bromodomain Family. Cell(Cambridge,Mass.) V. 149 214 2012.
ISSN: ISSN 0092-8674
PubMed: 22464331
DOI: 10.1016/J.CELL.2012.02.013