Arsenic in PDB 6unw: Epoxide Hydrolase From An Endophytic Streptomyces

The structure of Epoxide Hydrolase From An Endophytic Streptomyces, PDB code: 6unw was solved by C.Wilson, J.C.Dos Santos, M.V.B.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.52 / 2.21
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.733, 106.733, 233.039, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.7

The structure of Epoxide Hydrolase From An Endophytic Streptomyces also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Arsenic atom in the Epoxide Hydrolase From An Endophytic Streptomyces (pdb code 6unw). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Epoxide Hydrolase From An Endophytic Streptomyces, PDB code: 6unw:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in the Epoxide Hydrolase From An Endophytic Streptomyces


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Epoxide Hydrolase From An Endophytic Streptomyces within 5.0Å range: probe atom residue distance (Å) B Occ A:As401 b:76.9 occ:1.00 AS A:CAC401 0.0 76.9 1.0 O1 A:CAC401 1.6 52.4 1.0 O2 A:CAC401 1.8 50.2 1.0 C2 A:CAC401 2.0 54.2 1.0 C1 A:CAC401 2.0 54.2 1.0 OD1 A:ASP114 3.2 34.1 1.0 OH A:TYR251 3.2 34.0 1.0 OH A:TYR163 3.3 40.9 1.0 CG A:ASP114 4.0 34.8 1.0 OD2 A:ASP114 4.0 28.6 1.0 CZ A:TYR251 4.2 32.1 1.0 CZ A:TYR163 4.4 41.4 1.0 CE2 A:TYR163 4.4 39.4 1.0 CE1 A:TYR251 4.5 35.0 1.0 O A:HOH697 4.6 40.6 1.0 OG A:SER283 4.7 64.0 1.0 CE1 A:HIS312 4.9 33.7 1.0 CD1 A:TRP115 4.9 29.7 1.0

Arsenic binding site 2 out of 3 in the Epoxide Hydrolase From An Endophytic Streptomyces


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Epoxide Hydrolase From An Endophytic Streptomyces within 5.0Å range: probe atom residue distance (Å) B Occ B:As401 b:0.3 occ:1.00 AS B:CAC401 0.0 0.3 1.0 O1 B:CAC401 1.6 82.5 1.0 O2 B:CAC401 1.8 76.0 1.0 C2 B:CAC401 2.0 85.0 1.0 C1 B:CAC401 2.0 74.4 1.0 OH B:TYR163 3.2 36.8 1.0 OD1 B:ASP114 3.3 33.7 1.0 OH B:TYR251 3.4 32.2 1.0 CZ B:TYR163 4.1 37.3 1.0 CG B:ASP114 4.1 33.6 1.0 OD2 B:ASP114 4.2 29.8 1.0 CE2 B:TYR163 4.2 39.7 1.0 CE1 B:HIS312 4.5 38.4 1.0 CZ B:TYR251 4.5 31.3 1.0 O B:HOH504 4.6 42.2 1.0 OG B:SER283 4.6 44.9 1.0 NE2 B:HIS312 4.6 35.8 1.0 CE1 B:TYR251 4.7 33.0 1.0 O B:HOH687 4.8 42.1 1.0

Arsenic binding site 3 out of 3 in the Epoxide Hydrolase From An Endophytic Streptomyces


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Epoxide Hydrolase From An Endophytic Streptomyces within 5.0Å range: probe atom residue distance (Å) B Occ C:As401 b:71.1 occ:1.00 AS C:CAC401 0.0 71.1 1.0 O1 C:CAC401 1.6 48.0 1.0 O2 C:CAC401 1.8 45.8 1.0 C1 C:CAC401 2.0 52.7 1.0 C2 C:CAC401 2.0 41.8 1.0 OD1 C:ASP114 3.0 33.6 1.0 OH C:TYR251 3.3 31.7 1.0 OH C:TYR163 3.4 39.0 1.0 OD2 C:ASP114 3.8 36.9 1.0 CG C:ASP114 3.8 39.4 1.0 O C:HOH654 4.3 41.9 1.0 CZ C:TYR251 4.4 34.8 1.0 CZ C:TYR163 4.4 39.8 1.0 CE1 C:TYR251 4.6 33.8 1.0 CE2 C:TYR163 4.6 35.9 1.0 CE1 C:HIS312 4.7 43.1 1.0 NE2 C:HIS312 4.7 41.8 1.0 OG C:SER283 4.9 61.0 1.0

G.D.Tormet-Gonzalez, C.Wilson, G.S.De Oliveira, J.C.Dos Santos, L.G.De Oliveira, M.V.B.Dias. An Epoxide Hydrolase From Endophytic Streptomyces Shows Unique Structural Features and Wide Biocatalytic Activity. Acta Crystallogr D Struct V. 76 868 2020BIOL.
ISSN: ISSN 2059-7983
PubMed: 32876062
DOI: 10.1107/S2059798320010402