Chlorine in PDB 5vs7: Bromodomain of PF3D7_1475600 From Plasmodium Falciparum Complexed with Peptide H4K5AC

The structure of Bromodomain of PF3D7_1475600 From Plasmodium Falciparum Complexed with Peptide H4K5AC, PDB code: 5vs7 was solved by C.F.D.Hou, P.Loppnau, A.Dong, C.Bountra, A.M.Edwards, C.H.Arrowsmith, R.Hui, J.R.Walker, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.54 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.110, 41.510, 73.090, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24.4

The binding sites of Chlorine atom in the Bromodomain of PF3D7_1475600 From Plasmodium Falciparum Complexed with Peptide H4K5AC (pdb code 5vs7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Bromodomain of PF3D7_1475600 From Plasmodium Falciparum Complexed with Peptide H4K5AC, PDB code: 5vs7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Bromodomain of PF3D7_1475600 From Plasmodium Falciparum Complexed with Peptide H4K5AC


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bromodomain of PF3D7_1475600 From Plasmodium Falciparum Complexed with Peptide H4K5AC within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:79.9 occ:1.00 N A:LYS27 3.5 56.8 1.0 N A:LYS28 3.6 59.5 1.0 CE1 A:PHE95 3.8 75.2 1.0 CZ A:PHE95 3.8 74.3 1.0 CB A:LYS27 3.9 64.1 1.0 CG A:LYS28 3.9 74.5 1.0 O A:PHE25 4.0 55.1 1.0 CA A:LYS27 4.1 59.5 1.0 CE2 A:PHE95 4.1 74.9 1.0 CD1 A:PHE95 4.2 71.9 1.0 CB A:LYS28 4.2 64.0 1.0 C A:ASP26 4.3 56.8 1.0 C A:LYS27 4.3 63.6 1.0 CA A:ASP26 4.5 53.0 1.0 CD2 A:PHE95 4.5 70.4 1.0 CA A:LYS28 4.5 60.5 1.0 CG A:PHE95 4.6 66.0 1.0 O A:HOH340 4.6 58.9 1.0 OD1 A:ASP26 4.6 57.7 1.0 CG A:LYS27 4.8 78.5 1.0

Chlorine binding site 2 out of 2 in the Bromodomain of PF3D7_1475600 From Plasmodium Falciparum Complexed with Peptide H4K5AC


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bromodomain of PF3D7_1475600 From Plasmodium Falciparum Complexed with Peptide H4K5AC within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:88.5 occ:1.00 N A:ILE91 3.4 51.7 1.0 CG2 A:ILE91 3.5 56.3 1.0 CB A:THR90 3.9 57.2 1.0 CB A:ILE91 3.9 56.8 1.0 CA A:THR90 4.0 54.3 1.0 CE2 A:TYR92 4.2 56.9 1.0 C A:THR90 4.3 54.4 1.0 CG2 A:THR90 4.3 55.5 1.0 CA A:ILE91 4.3 52.3 1.0 CD2 A:TYR92 4.4 54.6 1.0 N A:TYR92 4.9 53.0 1.0

C.F.D.Hou, P.Loppnau, A.Dong, C.Bountra, A.M.Edwards, C.H.Arrowsmith, R.Hui, J.R.Walker, Structural Genomics Consortium (Sgc). Bromodomain of PF3D7_1475600 From Plasmodium Falciparum Complexed with Peptide H4K5AC To Be Published.