Chlorine in PDB 3wf4: Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with 6S-Nbi-Dgj

All present enzymatic activity of Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with 6S-Nbi-Dgj:
3.2.1.23;

The structure of Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with 6S-Nbi-Dgj, PDB code: 3wf4 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)	25.14 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	95.026, 116.175, 140.680, 90.00, 92.29, 90.00
R / Rfree (%)	17.9 / 24

The binding sites of Chlorine atom in the Crystal Structure of Human Beta-Galactosidase Mutant I51T in Complex with 6S-Nbi-Dgj (pdb code 3wf4). 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 Mutant I51T in Complex with 6S-Nbi-Dgj, PDB code: 3wf4:
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 Mutant I51T 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 Mutant I51T in Complex with 6S-Nbi-Dgj within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:22.2 occ:1.00 OG A:SER54 2.9 18.3 1.0 NH2 A:ARG121 3.1 20.9 1.0 NE2 A:HIS56 3.2 23.9 1.0 NE A:ARG121 3.4 21.0 1.0 CB A:SER54 3.6 19.2 1.0 CZ A:ARG121 3.7 21.2 1.0 CG A:GLN81 3.7 22.6 1.0 O A:GLN81 3.7 16.5 1.0 C A:GLN81 3.8 18.3 1.0 CD2 A:HIS56 3.8 22.2 1.0 N A:THR82 3.8 18.3 1.0 NE2 A:GLN81 3.8 24.0 1.0 CA A:THR82 3.9 17.3 1.0 CD2 A:TYR83 4.1 16.9 1.0 C A:THR82 4.1 18.9 1.0 CE2 A:TYR83 4.1 18.3 1.0 CE2 A:TYR306 4.1 19.1 1.0 CB A:GLN81 4.1 22.1 1.0 CD2 A:TYR306 4.2 18.2 1.0 CA A:SER54 4.3 19.7 1.0 CD A:GLN81 4.3 22.8 1.0 N A:TYR83 4.3 17.5 1.0 CE1 A:HIS56 4.4 23.2 1.0 CG A:TYR83 4.4 17.5 1.0 O A:THR82 4.6 22.3 1.0 CA A:GLN81 4.6 20.6 1.0 CD A:ARG121 4.6 20.3 1.0 CZ A:TYR83 4.6 18.0 1.0 ND2 A:ASN304 4.8 21.7 1.0 CD1 A:TYR83 4.9 18.8 1.0 CG A:ARG121 4.9 19.6 1.0 NH1 A:ARG121 5.0 25.1 1.0 CE1 A:TYR83 5.0 17.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Beta-Galactosidase Mutant I51T 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 Mutant I51T in Complex with 6S-Nbi-Dgj within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl705 b:21.3 occ:1.00 OG B:SER54 2.8 19.7 1.0 NH2 B:ARG121 3.1 18.1 1.0 NE2 B:HIS56 3.3 18.6 1.0 NE B:ARG121 3.4 18.7 1.0 CB B:SER54 3.7 19.1 1.0 CZ B:ARG121 3.7 19.0 1.0 O B:GLN81 3.8 18.5 1.0 CG B:GLN81 3.8 22.7 1.0 NE2 B:GLN81 3.8 23.5 1.0 N B:THR82 3.8 18.5 1.0 CD2 B:HIS56 3.8 18.1 1.0 C B:GLN81 3.8 19.7 1.0 CA B:THR82 3.8 18.5 1.0 C B:THR82 4.0 18.5 1.0 CE2 B:TYR306 4.1 17.8 1.0 CB B:GLN81 4.1 22.1 1.0 CD2 B:TYR83 4.2 18.5 1.0 CE2 B:TYR83 4.2 18.3 1.0 CD2 B:TYR306 4.2 17.1 1.0 N B:TYR83 4.3 18.5 1.0 CD B:GLN81 4.3 23.4 1.0 CA B:SER54 4.4 19.3 1.0 CG B:TYR83 4.4 18.4 1.0 O B:THR82 4.5 18.7 1.0 CE1 B:HIS56 4.5 19.2 1.0 CZ B:TYR83 4.5 19.1 1.0 CA B:GLN81 4.7 21.0 1.0 CD B:ARG121 4.7 18.8 1.0 CD1 B:TYR83 4.7 19.3 1.0 CE1 B:TYR83 4.8 19.1 1.0 CG B:ARG121 5.0 17.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Beta-Galactosidase Mutant I51T 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 Mutant I51T in Complex with 6S-Nbi-Dgj within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl705 b:21.0 occ:1.00 OG C:SER54 2.9 21.1 1.0 NH2 C:ARG121 3.1 16.4 1.0 NE2 C:HIS56 3.2 17.7 1.0 NE C:ARG121 3.4 16.2 1.0 CB C:SER54 3.7 20.8 1.0 CZ C:ARG121 3.7 17.8 1.0 CD2 C:HIS56 3.8 17.7 1.0 NE2 C:GLN81 3.8 19.2 1.0 CG C:GLN81 3.8 19.3 1.0 O C:GLN81 3.8 21.7 1.0 N C:THR82 3.9 19.0 1.0 CA C:THR82 3.9 17.6 1.0 C C:GLN81 3.9 19.1 1.0 CD2 C:TYR83 4.0 19.5 1.0 C C:THR82 4.1 17.9 1.0 CE2 C:TYR83 4.1 19.1 1.0 CE2 C:TYR306 4.1 18.7 1.0 CB C:GLN81 4.3 19.6 1.0 CD2 C:TYR306 4.3 21.2 1.0 CD C:GLN81 4.3 19.2 1.0 CG C:TYR83 4.3 18.1 1.0 N C:TYR83 4.4 17.1 1.0 CE1 C:HIS56 4.4 17.1 1.0 O C:THR82 4.4 19.6 1.0 CA C:SER54 4.5 19.9 1.0 CZ C:TYR83 4.5 19.6 1.0 CD C:ARG121 4.6 16.4 1.0 CD1 C:TYR83 4.7 19.7 1.0 CA C:GLN81 4.7 19.4 1.0 CE1 C:TYR83 4.8 19.3 1.0 CG C:ARG121 5.0 16.7 1.0 CB C:TYR83 5.0 18.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Beta-Galactosidase Mutant I51T 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 Mutant I51T in Complex with 6S-Nbi-Dgj within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl705 b:22.2 occ:1.00 OG D:SER54 2.8 18.8 1.0 NH2 D:ARG121 3.1 20.3 1.0 NE2 D:HIS56 3.3 15.2 1.0 NE D:ARG121 3.4 20.0 1.0 CB D:SER54 3.5 20.0 1.0 CG D:GLN81 3.6 20.6 1.0 CZ D:ARG121 3.6 19.5 1.0 O D:GLN81 3.7 19.4 1.0 NE2 D:GLN81 3.7 19.5 1.0 C D:GLN81 3.9 19.0 1.0 CD2 D:HIS56 3.9 14.2 1.0 CA D:THR82 3.9 18.1 1.0 N D:THR82 3.9 18.1 1.0 CD2 D:TYR83 4.0 19.9 1.0 C D:THR82 4.0 19.1 1.0 CE2 D:TYR306 4.0 17.9 1.0 CE2 D:TYR83 4.1 19.7 1.0 CD D:GLN81 4.2 21.5 1.0 CD2 D:TYR306 4.2 19.6 1.0 CB D:GLN81 4.3 20.9 1.0 N D:TYR83 4.3 19.7 1.0 CG D:TYR83 4.3 19.7 1.0 CA D:SER54 4.4 18.7 1.0 CE1 D:HIS56 4.5 16.2 1.0 O D:THR82 4.5 18.8 1.0 CZ D:TYR83 4.5 19.7 1.0 CD D:ARG121 4.6 21.3 1.0 CA D:GLN81 4.7 19.6 1.0 CD1 D:TYR83 4.8 19.2 1.0 ND2 D:ASN304 4.8 22.5 1.0 CE1 D:TYR83 4.9 19.2 1.0 CG D:ARG121 4.9 21.9 1.0 NH1 D:ARG121 5.0 19.6 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.