Zinc in PDB 5dkh: Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17

The structure of Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17, PDB code: 5dkh was solved by C.Tallant, D.R.Owen, A.Taylor, O.Fedorov, P.Savitsky, P.Siejka, V.Srikannathasan, R.Nowak, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.71 / 1.70
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	63.997, 63.997, 89.160, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 24.1

The binding sites of Zinc atom in the Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17 (pdb code 5dkh). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17, PDB code: 5dkh:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17


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 Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1501 b:24.6 occ:0.50 O A:HOH1601 1.7 30.0 1.0 NE2 A:HIS1441 2.0 32.9 1.0 O A:HOH1657 2.6 46.5 1.0 O A:HOH1616 2.8 31.1 1.0 CD2 A:HIS1441 3.0 31.3 1.0 CE1 A:HIS1441 3.0 33.2 1.0 O A:ARG1439 3.9 25.2 1.0 ND1 A:HIS1441 4.1 31.7 1.0 CG A:HIS1441 4.1 30.1 1.0

Zinc binding site 2 out of 6 in the Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17


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 Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1502 b:25.2 occ:0.50 O A:HOH1656 2.0 35.1 1.0 NE2 A:HIS1458 2.1 27.3 1.0 CE1 A:HIS1458 3.0 26.9 1.0 CD2 A:HIS1458 3.2 25.4 1.0 O A:HOH1655 3.4 45.8 1.0 ND1 A:HIS1458 4.1 26.2 1.0 CG A:HIS1458 4.2 24.3 1.0 O A:HOH1665 4.5 54.7 1.0 O A:HOH1632 4.5 31.3 1.0

Zinc binding site 3 out of 6 in the Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1501 b:48.9 occ:0.50 O B:HOH1654 1.8 35.8 1.0 O B:HOH1634 2.7 36.8 1.0 NE2 B:HIS1441 3.0 28.7 1.0 CE1 B:HIS1441 3.5 29.8 1.0 O B:ARG1439 4.1 27.6 1.0 CD2 B:HIS1441 4.2 29.1 1.0 ND1 B:HIS1441 4.8 28.4 1.0

Zinc binding site 4 out of 6 in the Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1502 b:44.3 occ:1.00 NE2 B:HIS1458 2.2 27.8 1.0 CE1 B:HIS1458 2.9 28.2 1.0 CD2 B:HIS1458 3.3 28.3 1.0 O B:HOH1656 3.6 37.2 1.0 ND1 B:HIS1458 4.1 26.2 1.0 CG B:HIS1458 4.3 26.4 1.0 OG1 B:THR1462 4.4 25.8 1.0

Zinc binding site 5 out of 6 in the Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1501 b:28.8 occ:0.50 O C:HOH1636 1.5 37.3 1.0 NE2 C:HIS1458 2.3 27.1 1.0 O C:HOH1645 2.6 40.9 1.0 CE1 C:HIS1458 3.2 27.7 1.0 CD2 C:HIS1458 3.3 26.4 1.0 OG1 C:THR1462 4.2 24.4 1.0 ND1 C:HIS1458 4.3 25.9 1.0 CG C:HIS1458 4.4 24.3 1.0 O C:HOH1648 4.8 38.5 1.0

Zinc binding site 6 out of 6 in the Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1502 b:25.0 occ:0.50 O C:HOH1633 2.0 30.3 1.0 O C:HOH1646 2.4 34.3 1.0 NE2 C:HIS1441 2.4 30.7 1.0 CE1 C:HIS1441 3.3 30.1 1.0 CD2 C:HIS1441 3.5 29.3 1.0 O C:ARG1439 3.7 24.6 1.0 ND1 C:HIS1441 4.4 28.7 1.0 CG C:HIS1441 4.6 28.8 1.0 C C:ARG1439 4.9 24.8 1.0

C.Tallant, D.R.Owen, A.Taylor, O.Fedorov, P.Savitsky, P.Siejka, V.Srikannathasan, R.Nowak, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp. Crystal Structure of the Bromodomain of Human Brm (SMARCA2) in Complex with A Hydroxyphenyl Propenone Inhibitor 17 To Be Published.