Bromine in PDB 5qb6: Crystal Structure of Endothiapepsin-FRG062 Complex

All present enzymatic activity of Crystal Structure of Endothiapepsin-FRG062 Complex:
3.4.23.22;

The structure of Crystal Structure of Endothiapepsin-FRG062 Complex, PDB code: 5qb6 was solved by F.Huschmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.73 / 1.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.345, 73.317, 52.820, 90.00, 109.55, 90.00
R / Rfree (%)	13.2 / 17.1

The binding sites of Bromine atom in the Crystal Structure of Endothiapepsin-FRG062 Complex (pdb code 5qb6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Endothiapepsin-FRG062 Complex, PDB code: 5qb6:

Bromine binding site 1 out of 1 in the Crystal Structure of Endothiapepsin-FRG062 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Endothiapepsin-FRG062 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br407 b:27.8 occ:0.50 BR A:D5Y407 0.0 27.8 0.5 C5 A:D5Y407 1.9 25.2 0.7 C4 A:D5Y407 2.8 23.8 0.7 C6 A:D5Y407 2.9 25.3 0.7 O2 A:D5Y407 3.1 26.6 0.7 CG A:TYR79 3.5 20.6 1.0 CB A:TYR79 3.5 22.6 1.0 O A:HOH690 3.5 39.1 1.0 OG A:SER83 3.8 25.8 1.0 OD2 A:ASP81 3.8 35.2 1.0 CD2 A:TYR79 3.8 18.8 1.0 CD1 A:TYR79 3.9 20.9 1.0 OD1 A:ASP81 4.0 36.0 1.0 N1 A:D5Y407 4.1 23.1 0.7 N A:D5Y407 4.1 21.1 0.7 CG A:ASP81 4.1 35.3 1.0 CZ A:PHE116 4.4 20.5 1.0 CE2 A:TYR79 4.5 18.6 1.0 CE1 A:TYR79 4.6 19.6 1.0 CD2 A:LEU125 4.7 19.7 1.0 C7 A:D5Y407 4.7 20.8 0.7 CE1 A:PHE116 4.8 22.1 1.0 CZ A:TYR79 4.9 19.1 1.0 O A:GLY221 4.9 17.2 1.0 C A:D5Y407 4.9 35.4 0.7

F.U.Huschmann, M.S.Weiss, U.Mueller, L.O.Haustedt, G.Klebe. Crystal Structure of Endothiapepsin To Be Published.