Chlorine in PDB 4ipt: The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Ethylated) From Veillonella Parvula Dsm 2008

The structure of The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Ethylated) From Veillonella Parvula Dsm 2008, PDB code: 4ipt was solved by K.Tan, C.Hatzos-Skintges, S.Clancy, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.32 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.681, 60.758, 68.769, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22

The binding sites of Chlorine atom in the The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Ethylated) From Veillonella Parvula Dsm 2008 (pdb code 4ipt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Ethylated) From Veillonella Parvula Dsm 2008, PDB code: 4ipt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Ethylated) From Veillonella Parvula Dsm 2008


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Ethylated) From Veillonella Parvula Dsm 2008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:30.4 occ:0.71 N A:ILE14 3.2 24.7 1.0 NE A:ARG179 3.3 24.6 1.0 O A:HOH421 3.3 39.9 1.0 O A:HOH473 3.3 47.1 1.0 CG1 A:ILE14 3.5 25.5 1.0 CB A:GLN13 3.6 24.9 1.0 N A:GLN13 3.7 23.5 1.0 O A:HOH404 3.8 24.9 1.0 CB A:ILE14 3.8 23.1 1.0 CD A:ARG179 3.9 23.2 1.0 CD1 A:ILE14 3.9 28.8 1.0 CA A:GLN13 4.0 22.7 1.0 C A:GLN13 4.0 25.2 1.0 CD1 A:LEU154 4.1 24.6 1.0 CA A:ILE14 4.1 21.8 1.0 O A:HOH509 4.3 36.9 1.0 CZ A:ARG179 4.3 27.4 1.0 NH2 A:ARG179 4.4 33.6 1.0 CG A:GLN13 4.5 29.6 1.0 C A:GLY12 4.7 27.6 1.0 O A:HOH529 4.7 54.7 1.0 CG A:ARG179 4.7 22.3 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Ethylated) From Veillonella Parvula Dsm 2008


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Ethylated) From Veillonella Parvula Dsm 2008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:45.1 occ:1.00 O A:HOH430 3.0 37.9 1.0 N A:ALA11 3.1 29.1 1.0 C A:GLY9 3.3 29.9 1.0 N A:ALA10 3.4 26.3 1.0 CA A:GLY9 3.4 33.8 1.0 CB A:ALA11 3.5 32.2 1.0 O A:HOH518 3.6 55.0 1.0 NH1 A:ARG40 3.8 47.5 1.0 CA A:ALA11 3.8 28.0 1.0 O A:GLY9 3.9 26.7 1.0 O A:HOH521 4.1 66.3 1.0 C A:ALA10 4.1 28.1 1.0 CD2 A:LEU37 4.2 31.2 1.0 CA A:GLY34 4.2 37.1 1.0 CA A:ALA10 4.2 23.9 1.0 N A:GLY9 4.3 31.7 1.0 NH2 A:ARG40 4.4 54.6 1.0 O A:TYR33 4.4 31.9 1.0 CZ A:ARG40 4.4 53.2 1.0 N A:GLY12 4.6 24.0 1.0 C A:ALA11 4.6 26.8 1.0 O A:HOH452 4.7 39.8 1.0 N A:ARG35 4.7 39.4 1.0 C A:GLY34 5.0 38.9 1.0 CB A:ALA10 5.0 29.9 1.0

K.Tan, C.Hatzos-Skintges, S.Clancy, A.Joachimiak. The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Ethylated) From Veillonella Parvula Dsm 2008 To Be Published.