Chlorine in PDB 3my7: The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A

The structure of The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A, PDB code: 3my7 was solved by A.J.Stein, A.Weger, L.Volkart, M.Gu, 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)	50.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.654, 145.489, 91.986, 90.00, 105.81, 90.00
R / Rfree (%)	22.9 / 28.1

The binding sites of Chlorine atom in the The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A (pdb code 3my7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A, PDB code: 3my7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A


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 the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl453 b:52.0 occ:1.00 OG A:SER118 3.2 34.2 1.0 N A:SER118 3.6 32.6 1.0 CB A:SER118 3.7 33.1 1.0 OG1 A:THR117 3.7 34.3 1.0 CE A:LYS65 3.7 33.7 1.0 CA A:ASN115 3.7 40.7 1.0 OD1 A:ASN115 3.8 43.1 1.0 C A:ASN115 3.9 39.2 1.0 N A:THR117 4.0 34.6 1.0 CD A:LYS65 4.0 32.6 1.0 CG A:LYS65 4.0 30.9 1.0 ND2 A:ASN69 4.1 26.7 1.0 CB A:ASN115 4.1 39.9 1.0 O A:ASN115 4.2 38.5 1.0 CD A:LYS68 4.2 28.2 1.0 CD A:PRO116 4.2 40.3 1.0 CA A:SER118 4.2 33.0 1.0 N A:PRO116 4.3 39.1 1.0 CB A:LYS65 4.4 30.7 1.0 CB A:LYS68 4.4 30.1 1.0 CG A:ASN115 4.4 42.9 1.0 C A:THR117 4.5 32.8 1.0 CA A:THR117 4.5 33.3 1.0 CB A:THR117 4.7 33.4 1.0 O A:THR114 4.8 42.2 1.0 CG A:ASN69 4.8 29.8 1.0 O A:LYS65 4.9 30.7 1.0 CA A:LYS65 4.9 30.8 1.0 CG A:PRO116 4.9 40.0 1.0 OD1 A:ASN69 5.0 30.1 1.0 NZ A:LYS65 5.0 38.1 1.0 C A:PRO116 5.0 36.1 1.0 CG A:LYS68 5.0 32.0 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A


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 the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl453 b:56.9 occ:1.00 OG B:SER118 2.8 47.5 1.0 OD1 B:ASN115 3.5 55.3 1.0 CE B:LYS65 3.7 48.8 1.0 OG1 B:THR117 3.7 45.2 1.0 CB B:SER118 3.8 46.2 1.0 CA B:ASN115 3.8 50.9 1.0 N B:SER118 3.9 45.1 1.0 CD B:LYS65 4.0 44.2 1.0 C B:ASN115 4.0 49.3 1.0 CD B:LYS68 4.1 45.2 1.0 CB B:ASN115 4.1 50.9 1.0 CG B:LYS65 4.2 45.4 1.0 N B:THR117 4.2 46.2 1.0 CD B:PRO116 4.2 50.1 1.0 CG B:ASN115 4.2 53.5 1.0 N B:PRO116 4.3 49.1 1.0 ND2 B:ASN69 4.3 35.0 1.0 CB B:LYS65 4.3 44.0 1.0 CB B:LYS68 4.3 43.3 1.0 CA B:SER118 4.5 45.0 1.0 O B:ASN115 4.5 48.2 1.0 O B:THR114 4.7 53.9 1.0 CA B:LYS65 4.7 44.6 1.0 O B:LYS65 4.7 43.7 1.0 CA B:THR117 4.8 45.0 1.0 C B:THR117 4.8 44.5 1.0 CB B:THR117 4.8 45.6 1.0 CG B:LYS68 4.9 45.1 1.0 NZ B:LYS68 4.9 51.4 1.0 NZ B:LYS65 4.9 51.9 1.0 CG B:PRO116 4.9 50.3 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl453 b:51.1 occ:1.00 OG C:SER118 3.3 34.1 1.0 CG C:LYS65 3.5 34.9 1.0 CA C:ASN115 3.6 40.4 1.0 C C:ASN115 3.7 39.2 1.0 CD C:PRO116 3.8 39.6 1.0 N C:SER118 3.9 32.8 1.0 N C:PRO116 3.9 39.1 1.0 OD1 C:ASN115 3.9 39.9 1.0 N C:THR117 3.9 35.1 1.0 CB C:SER118 4.0 33.8 1.0 OG1 C:THR117 4.0 33.4 1.0 NZ C:LYS65 4.1 39.6 1.0 CE C:LYS65 4.1 39.4 1.0 O C:ASN115 4.2 38.2 1.0 CD C:LYS68 4.3 37.1 1.0 CB C:ASN115 4.3 39.8 1.0 CD C:LYS65 4.4 36.4 1.0 ND2 C:ASN69 4.4 29.3 1.0 CB C:LYS65 4.4 33.3 1.0 O C:THR114 4.4 43.6 1.0 CA C:SER118 4.6 32.5 1.0 CG C:ASN115 4.6 41.3 1.0 CG C:PRO116 4.7 40.1 1.0 CA C:THR117 4.7 33.2 1.0 CB C:LYS68 4.7 32.9 1.0 N C:ASN115 4.8 41.4 1.0 C C:THR117 4.8 32.6 1.0 CB C:THR117 4.9 33.6 1.0 C C:PRO116 4.9 37.7 1.0 CA C:PRO116 4.9 38.5 1.0 CA C:LYS65 4.9 33.4 1.0 NZ C:LYS68 5.0 42.8 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl453 b:57.1 occ:1.00 OG D:SER118 3.5 39.8 1.0 OG1 D:THR117 3.6 44.8 1.0 CD D:PRO116 3.6 48.7 1.0 CA D:ASN115 3.7 48.8 1.0 C D:ASN115 3.7 48.3 1.0 N D:SER118 3.7 41.0 1.0 N D:THR117 3.8 45.7 1.0 N D:PRO116 3.8 48.4 1.0 NZ D:LYS65 4.0 47.3 1.0 CD D:LYS65 4.1 45.5 1.0 CB D:SER118 4.2 38.7 1.0 O D:ASN115 4.2 47.9 1.0 CG D:LYS65 4.3 44.6 1.0 ND2 D:ASN69 4.3 45.6 1.0 CB D:ASN115 4.3 48.3 1.0 OD1 D:ASN115 4.3 47.2 1.0 CG D:PRO116 4.3 49.2 1.0 CA D:THR117 4.4 44.9 1.0 CB D:THR117 4.5 46.5 1.0 CB D:LYS65 4.6 44.7 1.0 CA D:SER118 4.6 39.7 1.0 C D:THR117 4.6 42.5 1.0 CD D:LYS68 4.6 46.6 1.0 CE D:LYS65 4.6 45.7 1.0 C D:PRO116 4.7 47.5 1.0 O D:THR114 4.8 51.0 1.0 CG D:ASN115 4.8 48.0 1.0 CB D:ALA53 4.8 48.3 1.0 CA D:PRO116 4.8 48.3 1.0 CB D:LYS68 4.9 45.3 1.0 CG2 D:THR117 4.9 48.7 1.0 N D:ASN115 4.9 50.1 1.0

A.J.Stein, A.Weger, L.Volkart, M.Gu, A.Joachimiak. The Crystal Structure of the Acdh Domain of An Alcohol Dehydrogenase From Vibrio Parahaemolyticus to 2.25A To Be Published.