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

The structure of The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Wide Type) From Veillonella Parvula Dsm 2008, PDB code: 4hng 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)	24.38 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.044, 61.839, 69.698, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 20.2

The binding sites of Chlorine atom in the The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Wide Type) From Veillonella Parvula Dsm 2008 (pdb code 4hng). 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 (Wide Type) From Veillonella Parvula Dsm 2008, PDB code: 4hng:
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 (Wide Type) 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 (Wide Type) From Veillonella Parvula Dsm 2008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:39.2 occ:0.86 O A:HOH575 2.7 46.1 1.0 N A:ALA11 3.3 23.7 1.0 O A:HOH550 3.3 42.1 1.0 C A:GLY9 3.3 30.9 1.0 CA A:GLY9 3.5 25.9 1.0 N A:ALA10 3.5 26.2 1.0 CB A:ALA11 3.6 31.8 1.0 NH1 A:ARG40 3.6 61.2 1.0 O A:HOH580 3.7 46.3 1.0 O A:GLY9 3.8 25.9 1.0 CA A:ALA11 3.9 26.8 1.0 NH2 A:ARG40 4.0 66.0 1.0 CA A:GLY34 4.1 27.8 1.0 CZ A:ARG40 4.2 60.8 1.0 CD2 A:LEU37 4.2 41.4 1.0 O A:HOH574 4.3 50.7 1.0 C A:ALA10 4.3 28.5 1.0 CA A:ALA10 4.4 28.5 1.0 N A:ARG35 4.5 38.5 1.0 N A:GLY9 4.5 25.9 1.0 N A:GLY12 4.5 25.6 1.0 O A:TYR33 4.5 32.0 1.0 C A:ALA11 4.6 25.5 1.0 O A:HOH544 4.6 41.1 1.0 O A:HOH454 4.7 37.3 1.0 C A:GLY34 4.8 33.8 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of A Short-Chain Dehydrogenases/Reductase (Wide Type) 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 (Wide Type) From Veillonella Parvula Dsm 2008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:34.0 occ:0.73 O A:HOH484 2.8 44.4 1.0 N A:ILE14 3.2 23.7 1.0 NE A:ARG179 3.2 24.3 1.0 O A:HOH507 3.4 42.6 1.0 CG1 A:ILE14 3.5 25.2 1.0 O A:HOH401 3.5 40.1 1.0 CB A:GLN13 3.6 29.0 1.0 N A:GLN13 3.8 27.9 1.0 CD A:ARG179 3.8 22.7 1.0 CB A:ILE14 3.8 23.6 1.0 CD1 A:ILE14 3.8 29.2 1.0 O A:HOH416 3.9 25.1 1.0 CD1 A:LEU154 4.0 23.3 1.0 CA A:GLN13 4.0 28.4 1.0 C A:GLN13 4.0 25.6 1.0 CA A:ILE14 4.1 24.0 1.0 CZ A:ARG179 4.3 26.9 1.0 O A:HOH542 4.3 33.6 1.0 NH2 A:ARG179 4.4 28.9 1.0 CG A:GLN13 4.5 30.3 1.0 CG A:ARG179 4.7 23.4 1.0 C A:GLY12 4.7 23.3 1.0 O A:HOH490 5.0 51.2 1.0

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