Bromine in PDB 5fea: Domain Swapped Bromodomain From Leishmania Donovani

The structure of Domain Swapped Bromodomain From Leishmania Donovani, PDB code: 5fea was solved by J.R.Walker, C.F.D.Hou, Y.H.Lin, P.Loppnau, A.Dong, M.El Bakkouri, C.Bountra, A.M.Edwards, C.H.Arrowsmith, R.Hui, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.60
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.176, 77.176, 169.496, 90.00, 90.00, 120.00
R / Rfree (%)	22.8 / 27.7

The binding sites of Bromine atom in the Domain Swapped Bromodomain From Leishmania Donovani (pdb code 5fea). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Domain Swapped Bromodomain From Leishmania Donovani, PDB code: 5fea:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Domain Swapped Bromodomain From Leishmania Donovani


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Domain Swapped Bromodomain From Leishmania Donovani within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:60.7 occ:1.00 OG A:SER89 3.1 53.4 1.0 N A:SER89 3.5 53.5 1.0 C A:MET88 3.7 54.6 1.0 CB B:PRO69 3.7 59.0 1.0 CA A:MET88 3.8 55.1 1.0 CB A:HIS92 3.8 62.4 1.0 CB A:SER89 3.8 54.0 1.0 CG B:PRO69 3.9 59.3 1.0 N A:MET88 4.0 56.9 1.0 CA B:PRO69 4.0 56.8 1.0 CG A:HIS92 4.2 63.8 1.0 CA A:SER89 4.3 53.9 1.0 O A:MET88 4.3 54.6 1.0 ND1 A:HIS92 4.4 66.9 1.0 C A:PRO87 4.4 60.2 1.0 O A:PRO87 4.5 60.7 1.0 N B:PRO69 4.7 56.5 1.0 CD B:PRO69 4.9 57.5 1.0

Bromine binding site 2 out of 2 in the Domain Swapped Bromodomain From Leishmania Donovani


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Domain Swapped Bromodomain From Leishmania Donovani within 5.0Å range: probe atom residue distance (Å) B Occ B:Br803 b:63.3 occ:1.00 OG B:SER89 3.2 50.3 1.0 O A:HOH313 3.3 38.2 1.0 O B:HOH902 3.5 40.6 1.0 N B:SER89 3.5 54.0 1.0 C B:MET88 3.5 55.1 1.0 CA B:MET88 3.6 57.5 1.0 N B:MET88 3.7 58.8 1.0 CB B:SER89 3.8 50.3 1.0 CB A:PRO69 3.9 51.9 1.0 CA A:PRO69 4.0 50.5 1.0 C B:PRO87 4.1 61.7 1.0 CB B:HIS92 4.1 56.6 1.0 CG A:PRO69 4.1 52.5 1.0 O B:MET88 4.1 54.8 1.0 O B:PRO87 4.2 62.6 1.0 CA B:SER89 4.3 51.8 1.0 CG B:HIS92 4.5 61.1 1.0 CB B:PRO87 4.6 65.2 1.0 N A:PRO69 4.7 50.1 1.0 ND1 B:HIS92 4.7 64.5 1.0 CD A:PRO69 5.0 50.7 1.0 CA B:PRO87 5.0 64.3 1.0

J.R.Walker, C.F.D.Hou, Y.H.Lin, P.Loppnau, A.Dong, M.El Bakkouri, C.Bountra, A.M.Edwards, C.H.Arrowsmith, R.Hui, Structural Genomics Consortium (Sgc). Domain Swapped Bromodomain From Leishmania Donovani To Be Published.