Zinc in PDB 4qy4: Crystal Structure of the Bromodomain of Human SMARCA2

The structure of Crystal Structure of the Bromodomain of Human SMARCA2, PDB code: 4qy4 was solved by C.Tallant, P.Savitsky, G.Nunez-Alonso, M.Fonseca, T.Krojer, P.Filippakopoulos, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.73 / 1.97
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	64.346, 64.346, 89.117, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 27.9

The binding sites of Zinc atom in the Crystal Structure of the Bromodomain of Human SMARCA2 (pdb code 4qy4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of the Bromodomain of Human SMARCA2, PDB code: 4qy4:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of the Bromodomain of Human SMARCA2


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 SMARCA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1501 b:33.3 occ:1.00 NE2 A:HIS1441 2.2 30.2 1.0 O A:HOH1625 2.4 29.1 1.0 CE1 A:HIS1441 3.0 30.8 1.0 CD2 A:HIS1441 3.3 29.8 1.0 O A:ARG1439 3.7 25.4 1.0 ND1 A:HIS1441 4.2 28.9 1.0 CG A:HIS1441 4.3 28.6 1.0 C A:ARG1439 4.9 24.4 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of the Bromodomain of Human SMARCA2


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 SMARCA2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1501 b:54.1 occ:1.00 NE2 B:HIS1441 2.1 32.5 1.0 O B:HOH1631 2.9 39.6 1.0 CD2 B:HIS1441 3.1 32.0 1.0 CE1 B:HIS1441 3.1 33.1 1.0 O B:HOH1632 3.8 29.2 1.0 ND1 B:HIS1441 4.2 32.0 1.0 CG B:HIS1441 4.2 31.4 1.0 O B:ARG1439 4.3 28.9 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of the Bromodomain of Human SMARCA2


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 SMARCA2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1501 b:36.8 occ:1.00 O C:HOH1601 1.8 21.0 1.0 O C:HOH1606 2.1 30.4 1.0 O C:HOH1615 2.1 37.7 1.0 NE2 C:HIS1441 2.3 40.7 1.0 CE1 C:HIS1441 3.1 40.0 1.0 CD2 C:HIS1441 3.4 40.2 1.0 O C:ARG1439 3.7 39.8 1.0 ND1 C:HIS1441 4.3 39.0 1.0 CG C:HIS1441 4.4 39.4 1.0 C C:ARG1439 5.0 38.1 1.0

C.Tallant, P.Savitsky, G.Nunez-Alonso, M.Fonseca, T.Krojer, P.Filippakopoulos, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp. Crystal Structure of the Bromodomain of Human SMARCA2 To Be Published.