Chlorine in PDB 1rhc: F420-Dependent Secondary Alcohol Dehydrogenase in Complex with An F420-Acetone Adduct

The structure of F420-Dependent Secondary Alcohol Dehydrogenase in Complex with An F420-Acetone Adduct, PDB code: 1rhc was solved by S.W.Aufhammer, E.Warkentin, H.Berk, S.Shima, R.K.Thauer, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.76 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	86.824, 156.316, 60.199, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.8

The structure of F420-Dependent Secondary Alcohol Dehydrogenase in Complex with An F420-Acetone Adduct also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the F420-Dependent Secondary Alcohol Dehydrogenase in Complex with An F420-Acetone Adduct (pdb code 1rhc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the F420-Dependent Secondary Alcohol Dehydrogenase in Complex with An F420-Acetone Adduct, PDB code: 1rhc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the F420-Dependent Secondary Alcohol Dehydrogenase in Complex with An F420-Acetone Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of F420-Dependent Secondary Alcohol Dehydrogenase in Complex with An F420-Acetone Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl391 b:26.7 occ:0.50 N A:ARG15 3.0 16.8 1.0 CB A:ASP18 3.6 18.9 1.0 CG A:ASP18 3.6 38.2 1.0 CA A:TYR14 3.6 15.8 1.0 OD2 A:ASP18 3.7 66.5 1.0 C A:TYR14 3.8 17.7 1.0 CB A:ARG15 3.8 16.6 1.0 CB A:TYR14 3.8 17.6 1.0 CG A:ARG15 3.9 26.6 1.0 CA A:ARG15 4.0 16.8 1.0 CD A:ARG15 4.2 29.3 1.0 CD2 A:TYR14 4.2 19.4 1.0 OD1 A:ASP18 4.2 41.9 1.0 O A:HOH502 4.4 43.2 1.0 CG A:TYR14 4.5 19.5 1.0 O A:ARG15 4.6 15.8 1.0 O A:GLN13 4.8 20.1 1.0 C A:ARG15 4.8 15.3 1.0 N A:TYR14 5.0 17.4 1.0

Chlorine binding site 2 out of 2 in the F420-Dependent Secondary Alcohol Dehydrogenase in Complex with An F420-Acetone Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of F420-Dependent Secondary Alcohol Dehydrogenase in Complex with An F420-Acetone Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl392 b:28.3 occ:0.50 OE1 A:GLN13 3.0 19.6 1.0 O A:HOH427 3.2 23.2 1.0 O A:ASN309 3.4 20.2 1.0 NE1 A:TRP229 3.6 24.3 1.0 CB A:SER10 3.6 14.7 1.0 NE1 A:TRP246 3.6 17.6 1.0 CD1 A:TRP229 3.6 24.9 1.0 CZ2 A:TRP246 3.7 20.1 1.0 N A:ASN309 3.8 15.3 1.0 C A:GLY308 3.8 17.9 1.0 C A:ASN309 3.9 19.9 1.0 CE2 A:TRP246 3.9 19.6 1.0 CD2 A:PHE8 3.9 16.6 1.0 CA A:GLY308 4.0 16.1 1.0 CE1 A:TYR14 4.0 15.4 1.0 CE2 A:PHE8 4.1 19.3 1.0 CD A:GLN13 4.2 23.1 1.0 O A:GLY308 4.3 17.2 1.0 O A:PHE8 4.3 17.0 1.0 N A:SER10 4.4 15.4 1.0 CA A:ASN309 4.5 18.6 1.0 N A:SER310 4.5 16.1 1.0 OG A:SER10 4.5 17.6 1.0 CB A:GLN13 4.6 17.7 1.0 CA A:SER10 4.7 15.6 1.0 CD1 A:TRP246 4.7 20.1 1.0 OH A:TYR14 4.7 18.5 1.0 CA A:SER310 4.7 15.6 1.0 CB A:SER310 4.8 17.5 1.0 CZ A:TYR14 4.8 19.9 1.0 CH2 A:TRP246 4.8 20.7 1.0 CD1 A:TYR14 4.9 16.6 1.0 CE2 A:TRP229 4.9 19.6 1.0 CG A:GLN13 5.0 19.7 1.0 CG A:TRP229 5.0 18.5 1.0

S.W.Aufhammer, E.Warkentin, H.Berk, S.Shima, R.K.Thauer, U.Ermler. Coenzyme Binding in F(420)-Dependent Secondary Alcohol Dehydrogenase, A Member of the Bacterial Luciferase Family. Structure V. 12 361 2004.
ISSN: ISSN 0969-2126
PubMed: 15016352
DOI: 10.1016/J.STR.2004.02.010