Bromine in PDB 8qzd: Soluble Epoxide Hydrolase in Complex with Epoxykinin

All present enzymatic activity of Soluble Epoxide Hydrolase in Complex with Epoxykinin:
3.1.3.76; 3.3.2.10;

The structure of Soluble Epoxide Hydrolase in Complex with Epoxykinin, PDB code: 8qzd was solved by A.Kumar, J.M.H.Ehrler, S.Ziegler, L.Doetsch, E.Proschak, 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)	44.54 / 1.30
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.924, 80.312, 89.084, 90, 90, 90
R / Rfree (%)	16.3 / 18

The structure of Soluble Epoxide Hydrolase in Complex with Epoxykinin also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Bromine atom in the Soluble Epoxide Hydrolase in Complex with Epoxykinin (pdb code 8qzd). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Soluble Epoxide Hydrolase in Complex with Epoxykinin, PDB code: 8qzd:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Soluble Epoxide Hydrolase in Complex with Epoxykinin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Soluble Epoxide Hydrolase in Complex with Epoxykinin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br609 b:20.7 occ:0.57 BR1 A:XDZ609 0.0 20.7 0.6 C17 A:XDZ609 1.9 17.9 0.7 C16 A:XDZ609 2.8 19.6 0.7 C18 A:XDZ609 2.8 18.0 0.7 BR A:BR612 3.1 32.0 0.3 CG2 A:VAL498 3.7 21.4 1.0 CB A:HIS524 3.9 14.1 1.0 OD1 A:ASP496 3.9 15.3 1.0 O A:HOH880 4.0 24.6 1.0 C15 A:XDZ609 4.1 18.8 0.7 C19 A:XDZ609 4.1 19.6 0.7 C2 A:EDO610 4.2 27.4 0.7 N A:PHE497 4.2 16.9 1.0 N A:VAL498 4.3 17.5 1.0 CB A:VAL498 4.3 18.6 1.0 CG A:HIS524 4.4 13.2 1.0 C14 A:XDZ609 4.6 19.6 0.7 CG A:ASP496 4.8 15.0 1.0 CG A:MET419 4.8 37.3 1.0 C1 A:EDO610 4.8 27.6 0.7 C A:PHE497 4.9 19.3 1.0 ND1 A:HIS524 4.9 14.7 1.0 O2 A:EDO610 4.9 28.2 0.7 CA A:PHE497 4.9 18.4 1.0 CA A:VAL498 4.9 17.3 1.0

Bromine binding site 2 out of 2 in the Soluble Epoxide Hydrolase in Complex with Epoxykinin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Soluble Epoxide Hydrolase in Complex with Epoxykinin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br612 b:32.0 occ:0.26 O A:HOH880 2.8 24.6 1.0 O A:LYS495 2.9 16.0 1.0 N A:PHE497 3.1 16.9 1.0 BR1 A:XDZ609 3.1 20.7 0.6 OG A:SER412 3.2 19.3 0.5 CD2 A:PHE497 3.3 21.9 1.0 CG A:PHE497 3.6 20.3 1.0 CB A:PHE497 3.6 20.3 1.0 CA A:ASP496 3.8 14.8 1.0 C A:ASP496 3.9 15.5 1.0 CA A:PHE497 3.9 18.4 1.0 C A:LYS495 4.0 15.3 1.0 CE2 A:PHE497 4.1 24.2 1.0 CB A:SER412 4.2 15.8 0.5 N A:ASP496 4.4 14.6 1.0 OG A:SER412 4.4 25.2 0.5 N A:HIS524 4.5 13.2 1.0 CD1 A:PHE497 4.5 23.5 1.0 OD1 A:ASP496 4.6 15.3 1.0 CB A:SER412 4.7 21.2 0.5 O A:HOH701 4.7 30.9 1.0 CB A:HIS524 4.8 14.1 1.0 C A:PHE497 4.9 19.3 1.0 CA A:SER412 4.9 15.2 0.5 CA A:GLY523 4.9 14.6 1.0 CZ A:PHE497 4.9 21.1 1.0 CA A:SER412 4.9 18.5 0.5 N A:VAL498 4.9 17.5 1.0 CB A:ASP496 4.9 14.8 1.0 C17 A:XDZ609 5.0 17.9 0.7

A.Kumar, J.M.H.Ehrler, S.Ziegler, L.Doetsch, E.Proschak, S.Knapp, Structural Genomics Consortium (Sgc). Soluble Epoxide Hydrolase in Complex with Epoxykinin To Be Published.