Chlorine in PDB 3iv6: Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides.

The structure of Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides., PDB code: 3iv6 was solved by Y.Kim, N.Marshall, L.Keigher, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.77 / 2.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	179.883, 179.883, 83.826, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 23.8

The binding sites of Chlorine atom in the Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides. (pdb code 3iv6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides., PDB code: 3iv6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:66.3 occ:1.00 N B:ASP151 3.6 53.7 1.0 CG B:ASP151 3.8 70.7 1.0 OD2 B:ASP151 3.8 78.8 1.0 NZ B:LYS146 3.9 62.4 1.0 OD1 B:ASP151 4.0 66.4 1.0 CA B:TYR150 4.2 53.4 1.0 CB B:ASP151 4.2 60.3 1.0 CD1 B:TYR150 4.3 38.0 1.0 C B:TYR150 4.4 55.0 1.0 CB B:TYR150 4.5 48.8 1.0 CA B:ASP151 4.5 57.1 1.0 CE B:LYS146 4.6 52.6 1.0 CG B:TYR150 4.8 44.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:46.8 occ:1.00 ND2 B:ASN39 2.9 32.4 1.0 NH2 B:ARG142 3.7 28.1 1.0 CG B:ASN39 4.0 31.4 1.0 NE2 B:GLN252 4.0 22.6 1.0 CB B:ASN39 4.1 30.0 1.0 OG1 B:THR140 4.3 29.8 1.0 CE1 B:PHE110 4.7 25.6 1.0 O B:HOH285 4.7 32.9 1.0 OE1 B:GLN252 4.7 25.4 1.0 CD B:GLN252 4.7 23.1 1.0 CG2 B:THR140 4.9 22.0 1.0 O B:GLU38 4.9 30.9 1.0 CZ B:ARG142 5.0 26.7 1.0 CZ B:PHE110 5.0 26.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:61.1 occ:1.00 N D:ASP151 3.6 43.2 1.0 O D:HOH282 3.8 32.5 1.0 CD1 D:TYR150 4.0 29.7 1.0 CA D:TYR150 4.1 38.9 1.0 CG D:ASP151 4.1 73.0 1.0 CB D:TYR150 4.1 35.6 1.0 OD1 D:ASP151 4.3 66.1 1.0 CB D:ASP151 4.3 53.9 1.0 OD2 D:ASP151 4.3 78.0 1.0 C D:TYR150 4.4 40.3 1.0 CG D:TYR150 4.4 33.4 1.0 CA D:ASP151 4.6 53.8 1.0 NZ D:LYS146 4.8 48.9 1.0 CE1 D:TYR150 4.9 26.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl303 b:47.2 occ:1.00 ND2 D:ASN39 3.4 40.0 1.0 NH2 D:ARG142 3.8 31.2 1.0 CB D:ASN39 4.2 26.6 1.0 CG D:ASN39 4.3 35.5 1.0 OG1 D:THR140 4.3 20.9 1.0 NE2 D:GLN252 4.3 28.9 1.0 O D:HOH295 4.5 36.2 1.0 CE1 D:PHE110 4.5 21.9 1.0 CZ D:PHE110 4.7 24.2 1.0 O D:HOH313 4.8 39.5 1.0 CG2 D:THR140 4.9 22.8 1.0

Y.Kim, N.Marshall, L.Keigher, A.Joachimiak. Crystal Structure of Putative Zn-Dependent Alcohol Dehydrogenases From Rhodobacter Sphaeroides. To Be Published.