Chlorine in PDB 3wf0: Crystal Structure of Human Beta-Galactosidase in Complex with 6S-Nbi- Dgj

All present enzymatic activity of Crystal Structure of Human Beta-Galactosidase in Complex with 6S-Nbi- Dgj:
3.2.1.23;

The structure of Crystal Structure of Human Beta-Galactosidase in Complex with 6S-Nbi- Dgj, PDB code: 3wf0 was solved by H.Suzuki, U.Ohto, T.Shimizu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.41 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	95.013, 116.475, 140.449, 90.00, 92.23, 90.00
R / Rfree (%)	17.7 / 23

The binding sites of Chlorine atom in the Crystal Structure of Human Beta-Galactosidase in Complex with 6S-Nbi- Dgj (pdb code 3wf0). 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 6S-Nbi- Dgj, PDB code: 3wf0:
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 6S-Nbi- Dgj


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 6S-Nbi- Dgj within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:14.0 occ:1.00 OG A:SER54 3.0 12.5 1.0 NH2 A:ARG121 3.2 12.1 1.0 NE2 A:HIS56 3.2 12.0 1.0 NE A:ARG121 3.4 12.4 1.0 CG A:GLN81 3.6 11.7 1.0 CB A:SER54 3.6 12.8 1.0 CZ A:ARG121 3.7 12.5 1.0 CD2 A:HIS56 3.8 11.6 1.0 O A:GLN81 3.8 11.7 1.0 CA A:THR82 3.8 12.1 1.0 C A:GLN81 3.8 12.2 1.0 N A:THR82 3.8 11.8 1.0 NE2 A:GLN81 3.9 12.2 1.0 C A:THR82 4.0 12.7 1.0 CD2 A:TYR83 4.0 12.4 1.0 CB A:GLN81 4.1 12.5 1.0 CE2 A:TYR306 4.1 17.3 1.0 CE2 A:TYR83 4.1 13.2 1.0 N A:TYR83 4.2 12.0 1.0 CD2 A:TYR306 4.2 16.0 1.0 CD A:GLN81 4.3 13.0 1.0 CA A:SER54 4.4 12.9 1.0 CE1 A:HIS56 4.4 12.1 1.0 CG A:TYR83 4.4 12.6 1.0 O A:THR82 4.5 13.3 1.0 CA A:GLN81 4.6 12.1 1.0 CZ A:TYR83 4.6 13.5 1.0 CD A:ARG121 4.6 12.8 1.0 CG A:ARG121 4.9 13.3 1.0 ND2 A:ASN304 4.9 14.6 1.0 CD1 A:TYR83 4.9 12.9 1.0 CE1 A:TYR83 5.0 12.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Beta-Galactosidase in Complex with 6S-Nbi- Dgj


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 6S-Nbi- Dgj within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl705 b:16.4 occ:1.00 OG B:SER54 3.0 10.7 1.0 NH2 B:ARG121 3.1 10.7 1.0 NE2 B:HIS56 3.2 11.4 1.0 NE B:ARG121 3.3 11.5 1.0 CZ B:ARG121 3.6 11.3 1.0 CG B:GLN81 3.7 13.4 1.0 O B:GLN81 3.7 12.1 1.0 CB B:SER54 3.7 10.8 1.0 CD2 B:HIS56 3.8 11.0 1.0 NE2 B:GLN81 3.8 14.2 1.0 C B:GLN81 3.9 12.1 1.0 CA B:THR82 3.9 13.7 1.0 N B:THR82 4.0 12.5 1.0 CD2 B:TYR83 4.0 10.8 1.0 C B:THR82 4.0 13.5 1.0 CE2 B:TYR306 4.1 13.1 1.0 CE2 B:TYR83 4.1 10.5 1.0 CD2 B:TYR306 4.2 13.6 1.0 N B:TYR83 4.3 13.2 1.0 CB B:GLN81 4.3 12.6 1.0 CD B:GLN81 4.3 13.6 1.0 CG B:TYR83 4.4 10.9 1.0 CE1 B:HIS56 4.4 12.0 1.0 CA B:SER54 4.4 11.3 1.0 CD B:ARG121 4.5 12.3 1.0 O B:THR82 4.5 14.6 1.0 CZ B:TYR83 4.6 10.7 1.0 CA B:GLN81 4.8 12.2 1.0 CG B:ARG121 4.8 13.1 1.0 CD1 B:TYR83 4.8 10.6 1.0 CE1 B:TYR83 4.9 10.6 1.0 NH1 B:ARG121 4.9 10.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Beta-Galactosidase in Complex with 6S-Nbi- Dgj


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 6S-Nbi- Dgj within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl705 b:14.4 occ:1.00 OG C:SER54 2.9 12.4 1.0 NH2 C:ARG121 3.1 11.3 1.0 NE2 C:HIS56 3.3 8.2 1.0 NE C:ARG121 3.5 11.7 1.0 CG C:GLN81 3.6 11.6 1.0 CB C:SER54 3.7 11.3 1.0 CZ C:ARG121 3.7 12.2 1.0 CD2 C:HIS56 3.8 8.1 1.0 NE2 C:GLN81 3.8 13.0 1.0 O C:GLN81 3.8 12.0 1.0 CA C:THR82 3.9 10.7 1.0 C C:GLN81 3.9 11.6 1.0 N C:THR82 3.9 11.4 1.0 CD2 C:TYR83 4.0 11.8 1.0 C C:THR82 4.0 11.0 1.0 CE2 C:TYR306 4.0 10.8 1.0 CE2 C:TYR83 4.1 12.1 1.0 CB C:GLN81 4.2 11.4 1.0 N C:TYR83 4.2 10.7 1.0 CD2 C:TYR306 4.2 10.9 1.0 CD C:GLN81 4.2 12.5 1.0 CG C:TYR83 4.4 11.6 1.0 CE1 C:HIS56 4.4 8.2 1.0 CA C:SER54 4.4 11.0 1.0 CZ C:TYR83 4.6 12.7 1.0 O C:THR82 4.6 10.8 1.0 CD C:ARG121 4.7 11.7 1.0 CA C:GLN81 4.7 11.2 1.0 CD1 C:TYR83 4.9 11.7 1.0 CG C:ARG121 4.9 11.4 1.0 CE1 C:TYR83 4.9 12.4 1.0 ND2 C:ASN304 5.0 11.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Beta-Galactosidase in Complex with 6S-Nbi- Dgj


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 6S-Nbi- Dgj within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl705 b:19.9 occ:1.00 OG D:SER54 3.0 11.4 1.0 NE2 D:HIS56 3.2 12.2 1.0 NH2 D:ARG121 3.3 13.1 1.0 CB D:SER54 3.5 11.2 1.0 NE D:ARG121 3.6 12.3 1.0 CG D:GLN81 3.6 11.1 1.0 NE2 D:GLN81 3.7 11.5 1.0 O D:GLN81 3.8 11.6 1.0 CD2 D:HIS56 3.8 12.1 1.0 C D:GLN81 3.8 11.5 1.0 CZ D:ARG121 3.9 13.1 1.0 CA D:THR82 3.9 11.3 1.0 N D:THR82 3.9 11.1 1.0 C D:THR82 4.0 11.7 1.0 CD2 D:TYR83 4.2 12.6 1.0 CE2 D:TYR306 4.2 11.1 1.0 CD D:GLN81 4.2 11.6 1.0 N D:TYR83 4.2 12.9 1.0 CE2 D:TYR83 4.3 12.6 1.0 CB D:GLN81 4.3 11.1 1.0 CD2 D:TYR306 4.3 11.6 1.0 CA D:SER54 4.3 10.9 1.0 CE1 D:HIS56 4.4 12.4 1.0 CG D:TYR83 4.4 13.1 1.0 O D:THR82 4.5 11.3 1.0 CZ D:TYR83 4.6 12.6 1.0 CA D:GLN81 4.7 11.4 1.0 CD D:ARG121 4.7 12.3 1.0 ND2 D:ASN304 4.8 12.7 1.0 CD1 D:TYR83 4.8 12.5 1.0 CE1 D:TYR83 4.9 12.1 1.0 CG D:ARG121 4.9 11.7 1.0

H.Suzuki, U.Ohto, K.Higaki, T.Mena-Barragan, M.Aguilar-Moncayo, C.Ortiz Mellet, E.Nanba, J.M.Garcia Fernandez, Y.Suzuki, T.Shimizu. Structural Basis of Pharmacological Chaperoning For Human Beta-Galactosidase To Be Published.