Zinc in PDB 5dkd: Crystal Structure of the Bromodomain of Human BRG1 (SMARCA4) in Complex with Pfi-3 Chemical Probe

The structure of Crystal Structure of the Bromodomain of Human BRG1 (SMARCA4) in Complex with Pfi-3 Chemical Probe, PDB code: 5dkd was solved by C.Tallant, D.R.Owen, B.S.Gerstenberger, O.Fedorov, P.Savitsky, G.Nunez-Alonso, J.A.Newman, P.Filippakopoulos, N.Burgess-Brown, 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)	29.78 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.926, 74.566, 52.626, 90.00, 109.90, 90.00
R / Rfree (%)	26.8 / 29.7

The binding sites of Zinc atom in the Crystal Structure of the Bromodomain of Human BRG1 (SMARCA4) in Complex with Pfi-3 Chemical Probe (pdb code 5dkd). 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 Bromodomain of Human BRG1 (SMARCA4) in Complex with Pfi-3 Chemical Probe, PDB code: 5dkd:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Bromodomain of Human BRG1 (SMARCA4) in Complex with Pfi-3 Chemical Probe


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 Bromodomain of Human BRG1 (SMARCA4) in Complex with Pfi-3 Chemical Probe within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1601 b:21.8 occ:1.00 ND1 A:HIS1517 2.0 23.7 1.0 O A:HOH1740 2.0 30.3 1.0 CE1 A:HIS1517 2.8 25.5 1.0 CG A:HIS1517 3.1 23.3 1.0 CB A:HIS1517 3.5 22.3 1.0 NE2 A:HIS1517 4.0 25.8 1.0 O A:HOH1733 4.0 30.8 1.0 CD2 A:HIS1517 4.1 25.1 1.0 CA A:HIS1517 4.8 23.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Bromodomain of Human BRG1 (SMARCA4) in Complex with Pfi-3 Chemical Probe


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 Bromodomain of Human BRG1 (SMARCA4) in Complex with Pfi-3 Chemical Probe within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1601 b:22.0 occ:1.00 O A:HOH1735 1.9 22.1 1.0 O A:HOH1709 2.0 25.6 1.0 ND1 B:HIS1517 2.1 24.8 1.0 O A:HOH1714 2.2 19.3 1.0 O B:HOH1741 2.2 28.5 1.0 O A:HOH1750 2.3 24.2 1.0 CE1 B:HIS1517 3.0 25.3 1.0 CG B:HIS1517 3.1 24.8 1.0 CB B:HIS1517 3.5 24.6 1.0 O A:HOH1752 4.0 43.2 1.0 O B:HOH1728 4.1 37.8 1.0 OE2 A:GLU1548 4.1 23.3 1.0 OE1 A:GLU1548 4.2 21.0 1.0 NE2 B:HIS1517 4.2 24.9 1.0 CD2 B:HIS1517 4.2 24.2 1.0 OE2 A:GLU1542 4.3 29.4 1.0 CD A:GLU1548 4.6 20.2 1.0 CA B:HIS1517 4.9 25.7 1.0

C.Tallant, D.R.Owen, B.S.Gerstenberger, O.Fedorov, P.Savitsky, G.Nunez-Alonso, J.A.Newman, P.Filippakopoulos, N.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Muller, S.Knapp. Crystal Structure of the Bromodomain of Human BRG1 (SMARCA4) in Complex with Pfi-3 Chemical Probe To Be Published.