Nickel in PDB 5fg6: Crystal Structure of the Bromodomain of Human BRD1 (BRPF2) in Complex with of-1 Chemical Probe

The structure of Crystal Structure of the Bromodomain of Human BRD1 (BRPF2) in Complex with of-1 Chemical Probe, PDB code: 5fg6 was solved by C.Tallant, D.R.Owen, B.S.Gerstenberger, P.Savitsky, A.Chaikuad, O.Fedorov, G.Nunez-Alonso, P.Filippakopoulos, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Muller, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.27 / 1.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	70.771, 84.328, 52.080, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 19.7

The structure of Crystal Structure of the Bromodomain of Human BRD1 (BRPF2) in Complex with of-1 Chemical Probe also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Nickel atom in the Crystal Structure of the Bromodomain of Human BRD1 (BRPF2) in Complex with of-1 Chemical Probe (pdb code 5fg6). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of the Bromodomain of Human BRD1 (BRPF2) in Complex with of-1 Chemical Probe, PDB code: 5fg6:

Nickel binding site 1 out of 1 in the Crystal Structure of the Bromodomain of Human BRD1 (BRPF2) in Complex with of-1 Chemical Probe


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of the Bromodomain of Human BRD1 (BRPF2) in Complex with of-1 Chemical Probe within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni706 b:93.2 occ:1.00 NE2 A:HIS605 3.6 16.2 1.0 O A:HOH969 3.8 33.1 1.0 NZ A:LYS604 3.8 23.7 1.0 CD2 A:HIS605 4.4 15.3 1.0 CE A:LYS604 4.5 22.5 1.0 CD A:LYS604 4.5 20.8 1.0 CE1 A:HIS605 4.7 16.1 1.0 O A:HOH962 5.0 33.5 1.0

C.Tallant, D.R.Owen, B.S.Gerstenberger, P.Savitsky, A.Chaikuad, O.Fedorov, G.Nunez-Alonso, P.Filippakopoulos, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Muller, S.Knapp. Crystal Structure of the Bromodomain of Human BRD1 (BRPF2) in Complex with of-1 Chemical Probe To Be Published.