Chlorine in PDB 2v6g: Structure of Progesterone 5BETA-Reductase From Digitalis Lanata in Complex with Nadp

The structure of Structure of Progesterone 5BETA-Reductase From Digitalis Lanata in Complex with Nadp, PDB code: 2v6g was solved by A.Thorn, C.Egerer-Sieber, C.Jaeger, V.Herl, F.Mueller-Uri, W.Kreis, Y.A.Muller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.34 / 2.3
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.590, 78.590, 178.100, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.2

The structure of Structure of Progesterone 5BETA-Reductase From Digitalis Lanata in Complex with Nadp also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Structure of Progesterone 5BETA-Reductase From Digitalis Lanata in Complex with Nadp (pdb code 2v6g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Progesterone 5BETA-Reductase From Digitalis Lanata in Complex with Nadp, PDB code: 2v6g:

Chlorine binding site 1 out of 1 in the Structure of Progesterone 5BETA-Reductase From Digitalis Lanata in Complex with Nadp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Progesterone 5BETA-Reductase From Digitalis Lanata in Complex with Nadp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1391 b:49.6 occ:1.00 OH A:TYR179 2.8 46.4 1.0 N A:LYS147 3.3 48.1 1.0 N A:ARG146 3.3 43.3 1.0 CA A:GLY145 3.5 42.8 1.0 C A:GLY145 3.6 43.5 1.0 CE A:LYS147 3.6 57.7 1.0 C6N A:NAP1390 3.6 41.1 1.0 CB A:LYS147 3.7 52.4 1.0 CG A:LYS147 3.7 54.9 1.0 CZ A:TYR179 3.7 50.3 1.0 CE2 A:TYR179 3.7 50.0 1.0 C5N A:NAP1390 3.8 40.7 1.0 CA A:LYS147 4.1 51.2 1.0 CA A:ARG146 4.2 44.2 1.0 C A:ARG146 4.2 47.4 1.0 CD A:LYS147 4.3 58.6 1.0 O2D A:NAP1390 4.3 45.0 1.0 O A:GLY145 4.3 44.0 1.0 N A:GLY145 4.5 43.9 1.0 O A:PRO203 4.5 39.5 1.0 N1N A:NAP1390 4.6 44.2 1.0 CB A:ARG146 4.7 43.8 1.0 C4N A:NAP1390 4.8 42.6 1.0 O A:THR144 4.8 43.4 1.0 NZ A:LYS147 4.8 63.0 1.0 C A:THR144 4.9 43.3 1.0

A.Thorn, C.Egerer-Sieber, C.Jaeger, V.Herl, F.Mueller-Uri, W.Kreis, Y.A.Muller. The Crystal Structure of Progesterone 5{Beta}- Reductase From Digitalis Lanata Defines A Novel Class of Short Chain Dehydrogenases/Reductases. J.Biol.Chem. V. 283 17260 2008.
ISSN: ISSN 0021-9258
PubMed: 18032383
DOI: 10.1074/JBC.M706185200