Chlorine in PDB 3k9d: Crystal Structure of Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E

The structure of Crystal Structure of Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E, PDB code: 3k9d was solved by Y.Patskovsky, R.Toro, J.Freeman, S.Miller, J.M.Sauder, S.C.Almo, S.K.Burley, New York Sgx Research Center For Structural Genomics(Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	226.092, 226.092, 81.951, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 29.2

The binding sites of Chlorine atom in the Crystal Structure of Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E (pdb code 3k9d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E, PDB code: 3k9d:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E


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 Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl465 b:26.1 occ:1.00 OG A:SER123 2.8 19.0 1.0 N A:SER123 3.3 17.8 1.0 OG1 A:THR122 3.3 18.2 1.0 CB A:SER123 3.4 18.0 1.0 C A:ASN120 3.5 24.0 1.0 CD A:PRO121 3.6 30.3 1.0 N A:THR122 3.6 19.1 1.0 N A:PRO121 3.6 20.1 1.0 O A:ASN120 3.8 23.1 1.0 CA A:ASN120 3.9 15.7 1.0 CE A:LYS73 3.9 27.4 1.0 CA A:SER123 4.0 16.7 1.0 NZ A:LYS73 4.1 25.7 1.0 OD1 A:ASN74 4.2 17.7 1.0 CA A:THR122 4.2 20.6 1.0 C A:THR122 4.2 22.1 1.0 CG A:LYS70 4.3 14.1 1.0 CB A:THR122 4.3 23.0 1.0 C A:PRO121 4.4 20.9 1.0 CA A:PRO121 4.5 20.3 1.0 CG A:PRO121 4.5 17.7 1.0 CB A:LYS73 4.5 20.6 1.0 CB A:ASN120 4.6 12.0 1.0 CD A:LYS73 4.6 32.0 1.0 O A:LYS70 4.8 18.5 1.0 NZ A:LYS70 4.8 22.4 1.0 CB A:LYS70 4.9 20.9 1.0 O A:THR119 4.9 19.9 1.0 CG A:ASN74 5.0 17.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E


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 Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl465 b:35.3 occ:1.00 OG1 B:THR122 3.3 18.8 1.0 CD B:PRO121 3.4 33.3 1.0 OG B:SER123 3.7 18.5 1.0 N B:PRO121 3.8 25.2 1.0 N B:THR122 3.8 20.0 1.0 CA B:ASN120 3.9 18.8 1.0 N B:SER123 3.9 21.9 1.0 C B:ASN120 3.9 25.1 1.0 CE B:LYS73 3.9 25.4 1.0 CG B:LYS70 4.0 9.8 1.0 CD B:LYS70 4.0 15.9 1.0 CB B:SER123 4.2 18.0 1.0 NZ B:LYS70 4.2 19.0 1.0 CB B:LYS70 4.3 16.3 1.0 NZ B:LYS73 4.3 23.6 1.0 CB B:THR122 4.4 20.4 1.0 OD1 B:ASN74 4.5 20.7 1.0 CA B:THR122 4.5 22.1 1.0 O B:THR119 4.6 17.6 1.0 CB B:ASN120 4.6 17.6 1.0 O B:ASN120 4.6 23.5 1.0 CB B:ALA58 4.6 16.6 1.0 CA B:SER123 4.7 18.4 1.0 C B:PRO121 4.7 22.6 1.0 C B:THR122 4.7 22.5 1.0 CA B:PRO121 4.7 22.5 1.0 CE B:LYS70 4.7 14.7 1.0 CG B:PRO121 4.7 17.6 1.0 CB B:LYS73 4.7 19.5 1.0 O B:LYS70 4.8 16.2 1.0 CA B:LYS70 4.8 20.6 1.0 CG2 B:THR122 4.9 20.2 1.0 CD B:LYS73 4.9 31.4 1.0 N B:ASN120 5.0 21.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E


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 Probable Aldehyde Dehydrogenase From Listeria Monocytogenes Egd-E within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl465 b:46.5 occ:1.00 OG C:SER123 3.2 18.6 1.0 CE C:LYS73 3.6 25.3 1.0 CD C:PRO121 3.6 30.6 1.0 C C:ASN120 3.6 25.9 1.0 N C:PRO121 3.7 24.2 1.0 N C:SER123 3.7 21.6 1.0 OG1 C:THR122 3.7 17.5 1.0 CA C:ASN120 3.7 14.7 1.0 CB C:SER123 3.7 17.5 1.0 N C:THR122 3.9 15.9 1.0 NZ C:LYS73 3.9 21.1 1.0 O C:ASN120 4.1 19.7 1.0 CD C:LYS70 4.3 15.3 1.0 CA C:SER123 4.4 17.3 1.0 CG C:LYS70 4.4 16.8 1.0 CB C:LYS73 4.4 19.7 1.0 CB C:LYS70 4.4 19.0 1.0 NZ C:LYS70 4.4 20.1 1.0 CD C:LYS73 4.4 30.4 1.0 OD1 C:ASN74 4.4 20.4 1.0 CB C:ASN120 4.4 15.2 1.0 CG C:PRO121 4.5 13.4 1.0 C C:PRO121 4.6 22.9 1.0 CA C:THR122 4.6 22.7 1.0 O C:LYS70 4.6 19.1 1.0 C C:THR122 4.6 24.3 1.0 CA C:PRO121 4.7 21.0 1.0 CB C:THR122 4.7 22.2 1.0 O C:THR119 4.7 17.4 1.0 CA C:LYS70 4.8 20.9 1.0 N C:ASN120 4.9 17.4 1.0 CG C:LYS73 5.0 23.8 1.0 CE C:LYS70 5.0 15.6 1.0

Y.Patskovsky, R.Toro, J.Freeman, S.Miller, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Aldehyde Dehydrogenase From Listeria Monocytogenes To Be Published.