Chlorine in PDB 6o08: Gluconobacter Ene-Reductase (Gluer)

The structure of Gluconobacter Ene-Reductase (Gluer), PDB code: 6o08 was solved by S.E.Garfinkle, P.Jeffrey, T.K.Hyster, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.99 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.695, 49.469, 156.223, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 22.3

The structure of Gluconobacter Ene-Reductase (Gluer) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Gluconobacter Ene-Reductase (Gluer) (pdb code 6o08). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Gluconobacter Ene-Reductase (Gluer), PDB code: 6o08:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Gluconobacter Ene-Reductase (Gluer)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Gluconobacter Ene-Reductase (Gluer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl412 b:90.9 occ:1.00 NH2 A:ARG184 2.7 87.5 1.0 OD2 A:ASP180 2.8 50.1 1.0 OG A:SER226 2.8 34.6 1.0 CZ A:ARG184 3.2 92.4 1.0 NH1 A:ARG184 3.3 97.6 1.0 O A:SER226 3.4 40.5 1.0 CG A:ASP180 3.6 44.0 1.0 N A:ASN175 3.8 33.1 1.0 OD1 A:ASP180 3.8 39.2 1.0 O A:GLY229 3.8 75.6 1.0 CB A:THR231 3.8 99.5 1.0 CB A:SER226 3.8 36.6 1.0 OG1 A:THR231 3.9 0.1 1.0 N A:GLY176 4.0 35.2 1.0 CA A:ASN175 4.1 35.1 1.0 N A:THR231 4.1 0.6 1.0 O A:CYS234 4.2 90.7 1.0 NE A:ARG184 4.3 85.6 1.0 O A:THR231 4.3 87.7 1.0 C A:SER226 4.4 37.4 1.0 C A:ASN175 4.4 34.0 1.0 CA A:THR231 4.5 0.3 1.0 CA A:SER226 4.7 38.9 1.0 C A:ALA174 4.7 36.1 1.0 O A:HOH534 4.7 36.4 1.0 CA A:GLY176 4.8 34.8 1.0 CB A:CYS234 4.8 99.2 1.0 CB A:ASP180 4.9 43.2 1.0 CG2 A:THR231 4.9 96.5 1.0 C A:THR231 4.9 1.0 1.0 CD A:ARG184 5.0 72.6 1.0

Chlorine binding site 2 out of 2 in the Gluconobacter Ene-Reductase (Gluer)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Gluconobacter Ene-Reductase (Gluer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl413 b:78.2 occ:1.00 O A:HOH709 2.4 56.5 1.0 CA A:GLY112 3.9 35.4 1.0 O A:HOH570 3.9 57.0 1.0 N A:GLY112 4.0 36.7 1.0 O A:SER109 4.0 37.9 1.0 O A:VAL110 4.1 33.6 1.0 O A:HOH598 4.4 56.7 1.0 C A:THR111 4.6 34.5 1.0 C A:VAL110 4.6 35.2 1.0 O A:HOH541 4.6 36.7 1.0 C A:SER109 4.8 37.5 1.0 O A:SER108 4.8 32.6 1.0 O A:THR111 4.9 34.5 1.0

K.F.Biegasiewicz, S.J.Cooper, X.Gao, D.G.Oblinsky, J.H.Kim, S.E.Garfinkle, L.A.Joyce, B.A.Sandoval, G.D.Scholes, T.K.Hyster. Photoexcitation of Flavoenzymes Enables A Stereoselective Radical Cyclization. Science V. 364 1166 2019.
ISSN: ESSN 1095-9203
PubMed: 31221855
DOI: 10.1126/SCIENCE.AAW1143