Chlorine in PDB 3thc: Crystal Structure of Human Beta-Galactosidase in Complex with Galactose

All present enzymatic activity of Crystal Structure of Human Beta-Galactosidase in Complex with Galactose:
3.2.1.23;

The structure of Crystal Structure of Human Beta-Galactosidase in Complex with Galactose, PDB code: 3thc was solved by U.Ohto, T.Shimizu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.88 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	94.799, 116.104, 140.326, 90.00, 92.21, 90.00
R / Rfree (%)	19 / 22.8

The binding sites of Chlorine atom in the Crystal Structure of Human Beta-Galactosidase in Complex with Galactose (pdb code 3thc). 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 Human Beta-Galactosidase in Complex with Galactose, PDB code: 3thc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human Beta-Galactosidase in Complex with Galactose


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 Human Beta-Galactosidase in Complex with Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:8.1 occ:1.00 OG A:SER54 3.1 9.6 1.0 NE2 A:HIS56 3.2 8.1 1.0 NH2 A:ARG121 3.3 9.1 1.0 NE A:ARG121 3.4 9.1 1.0 CB A:SER54 3.6 9.1 1.0 CG A:GLN81 3.7 10.3 1.0 O A:GLN81 3.8 9.5 1.0 CZ A:ARG121 3.8 9.5 1.0 CD2 A:HIS56 3.8 7.4 1.0 C A:GLN81 3.8 9.4 1.0 N A:THR82 3.9 9.3 1.0 CA A:THR82 3.9 8.7 1.0 NE2 A:GLN81 3.9 10.3 1.0 C A:THR82 4.0 9.1 1.0 N A:TYR83 4.1 8.6 1.0 CD2 A:TYR83 4.1 8.1 1.0 CE1 A:TYR306 4.1 7.9 1.0 CB A:GLN81 4.2 10.2 1.0 CE2 A:TYR83 4.2 8.0 1.0 CD1 A:TYR306 4.2 8.1 1.0 CG A:TYR83 4.3 8.2 1.0 CD A:GLN81 4.4 11.0 1.0 CE1 A:HIS56 4.4 7.8 1.0 CA A:SER54 4.4 9.2 1.0 O A:THR82 4.5 9.8 1.0 CZ A:TYR83 4.6 8.4 1.0 CD A:ARG121 4.6 9.7 1.0 CD1 A:TYR83 4.7 8.4 1.0 CA A:GLN81 4.7 10.1 1.0 CE1 A:TYR83 4.8 8.4 1.0 CG A:ARG121 4.8 9.7 1.0 CB A:TYR83 4.9 8.0 1.0 CA A:TYR83 5.0 8.4 1.0 ND2 A:ASN304 5.0 11.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Beta-Galactosidase in Complex with Galactose


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 Human Beta-Galactosidase in Complex with Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:7.4 occ:1.00 OG B:SER54 3.0 8.3 1.0 NE2 B:HIS56 3.2 6.3 1.0 NH2 B:ARG121 3.2 7.8 1.0 NE B:ARG121 3.4 8.5 1.0 CB B:SER54 3.7 7.9 1.0 O B:GLN81 3.7 7.6 1.0 CZ B:ARG121 3.7 8.7 1.0 NE2 B:GLN81 3.8 8.1 1.0 CG B:GLN81 3.8 8.0 1.0 CD2 B:HIS56 3.8 6.0 1.0 C B:GLN81 3.8 7.6 1.0 N B:THR82 3.9 7.6 1.0 CA B:THR82 3.9 7.0 1.0 C B:THR82 3.9 7.1 1.0 CE1 B:TYR306 4.0 7.3 1.0 N B:TYR83 4.1 6.8 1.0 CD1 B:TYR306 4.1 7.7 1.0 CD2 B:TYR83 4.1 7.7 1.0 CB B:GLN81 4.2 8.1 1.0 CE2 B:TYR83 4.2 8.2 1.0 CD B:GLN81 4.3 8.2 1.0 O B:THR82 4.4 7.7 1.0 CE1 B:HIS56 4.4 6.4 1.0 CG B:TYR83 4.4 7.5 1.0 CA B:SER54 4.4 7.9 1.0 CZ B:TYR83 4.6 8.4 1.0 CD B:ARG121 4.6 8.6 1.0 CA B:GLN81 4.7 8.1 1.0 CD1 B:TYR83 4.7 7.7 1.0 CE1 B:TYR83 4.8 8.4 1.0 CG B:ARG121 4.8 8.6 1.0 ND2 B:ASN304 4.9 7.4 1.0 CA B:TYR83 5.0 6.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Beta-Galactosidase in Complex with Galactose


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 Human Beta-Galactosidase in Complex with Galactose within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl801 b:6.6 occ:1.00 OG C:SER54 3.0 8.8 1.0 NE2 C:HIS56 3.2 7.4 1.0 NH2 C:ARG121 3.2 10.2 1.0 NE C:ARG121 3.5 10.2 1.0 CB C:SER54 3.7 8.0 1.0 CG C:GLN81 3.7 9.1 1.0 O C:GLN81 3.7 8.7 1.0 CD2 C:HIS56 3.8 7.3 1.0 CA C:THR82 3.8 8.9 1.0 CZ C:ARG121 3.8 10.3 1.0 N C:THR82 3.8 8.9 1.0 OE1 C:GLN81 3.8 9.8 1.0 C C:GLN81 3.8 8.9 1.0 C C:THR82 4.0 9.5 1.0 CE1 C:TYR306 4.0 8.9 1.0 CD2 C:TYR83 4.1 8.4 1.0 CD1 C:TYR306 4.1 9.6 1.0 CB C:GLN81 4.2 8.8 1.0 N C:TYR83 4.2 9.2 1.0 CD C:GLN81 4.2 9.0 1.0 CE2 C:TYR83 4.2 8.3 1.0 CG C:TYR83 4.4 8.2 1.0 CE1 C:HIS56 4.4 7.4 1.0 CA C:SER54 4.4 7.8 1.0 O C:THR82 4.5 10.2 1.0 CA C:GLN81 4.6 9.2 1.0 CD C:ARG121 4.7 10.2 1.0 CZ C:TYR83 4.7 8.7 1.0 CD1 C:TYR83 4.8 8.3 1.0 CG C:ARG121 4.9 9.8 1.0 CE1 C:TYR83 4.9 8.7 1.0 ND2 C:ASN304 5.0 8.3 1.0 CB C:TYR83 5.0 8.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Beta-Galactosidase in Complex with Galactose


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 Human Beta-Galactosidase in Complex with Galactose within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl801 b:7.1 occ:1.00 OG D:SER54 3.0 9.7 1.0 NH2 D:ARG121 3.2 10.2 1.0 NE2 D:HIS56 3.3 9.2 1.0 NE D:ARG121 3.4 10.1 1.0 CB D:SER54 3.7 9.1 1.0 CG D:GLN81 3.7 9.0 1.0 CZ D:ARG121 3.7 10.6 1.0 O D:GLN81 3.7 8.2 1.0 NE2 D:GLN81 3.8 9.6 1.0 CD2 D:HIS56 3.8 9.0 1.0 CA D:THR82 3.9 8.6 1.0 C D:GLN81 3.9 8.3 1.0 N D:THR82 3.9 8.3 1.0 C D:THR82 4.0 9.1 1.0 CE1 D:TYR306 4.0 9.4 1.0 CD2 D:TYR83 4.1 9.4 1.0 N D:TYR83 4.2 9.3 1.0 CD1 D:TYR306 4.2 9.7 1.0 CE2 D:TYR83 4.2 9.4 1.0 CB D:GLN81 4.3 8.9 1.0 CD D:GLN81 4.3 9.3 1.0 CG D:TYR83 4.3 9.2 1.0 CE1 D:HIS56 4.4 9.5 1.0 CA D:SER54 4.5 9.1 1.0 O D:THR82 4.5 9.8 1.0 CZ D:TYR83 4.6 9.3 1.0 CD D:ARG121 4.7 10.6 1.0 CD1 D:TYR83 4.7 9.1 1.0 CA D:GLN81 4.7 8.6 1.0 CE1 D:TYR83 4.8 9.3 1.0 ND2 D:ASN304 4.9 10.3 1.0 CB D:TYR83 5.0 9.3 1.0 CG D:ARG121 5.0 10.1 1.0

U.Ohto, K.Usui, T.Ochi, K.Yuki, Y.Satow, T.Shimizu. Crystal Structure of Human Beta-Galactosidase: Structural Basis of GM1 Gangliosidosis and Morquio B Diseases J.Biol.Chem. V. 287 1801 2012.
ISSN: ISSN 0021-9258
PubMed: 22128166
DOI: 10.1074/JBC.M111.293795