Chlorine in PDB 1m01: Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac)

All present enzymatic activity of Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac):
3.2.1.52;

The structure of Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac), PDB code: 1m01 was solved by S.J Williams, B.L.Mark, D.J.Vocadlo, M.N.G.James, S.G.Withers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.00 / 2.10
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	133.276, 133.276, 176.204, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 21.6

The binding sites of Chlorine atom in the Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac) (pdb code 1m01). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac), PDB code: 1m01:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:16.6 occ:1.00 OH A:TYR271 2.9 12.4 1.0 O A:HOH548 3.2 12.3 1.0 CE1 A:TYR271 3.6 14.5 1.0 CD A:LYS275 3.7 20.0 1.0 CZ A:TYR271 3.7 14.1 1.0 CG A:LYS275 4.3 18.5 1.0 CA A:GLY273 4.5 17.2 1.0 CB A:LYS275 4.6 17.1 1.0 CE A:LYS275 4.7 17.9 1.0 CD1 A:TYR271 4.9 13.9 1.0

Chlorine binding site 2 out of 3 in the Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:16.7 occ:1.00 NE A:ARG179 3.1 14.3 1.0 O A:HOH575 3.2 20.9 1.0 NH1 A:ARG176 3.2 14.3 1.0 NH2 A:ARG179 3.5 13.1 1.0 O A:ASP175 3.7 15.5 1.0 CD A:ARG176 3.7 15.7 1.0 CZ A:ARG179 3.8 16.2 1.0 C A:ASP175 3.8 15.3 1.0 CB A:ASP175 3.9 16.9 1.0 N A:ARG176 3.9 13.4 1.0 O A:HOH543 3.9 14.7 1.0 CA A:ARG176 4.1 14.0 1.0 CD A:ARG179 4.2 13.2 1.0 CZ A:ARG176 4.3 16.4 1.0 CD1 A:ILE495 4.4 14.9 1.0 NE A:ARG176 4.5 14.3 1.0 CA A:ASP175 4.5 15.8 1.0 CG A:ARG176 4.5 15.7 1.0 CG A:ARG179 4.7 13.2 1.0 CB A:ARG176 4.9 14.3 1.0 O A:ARG172 4.9 12.2 1.0 NH2 A:ARG121 5.0 14.0 1.0

Chlorine binding site 3 out of 3 in the Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Wildtype Streptomyces Plicatus Beta-Hexosaminidase in Complex with Product (Glcnac) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:20.7 occ:0.50 N A:VAL276 3.3 13.3 1.0 O1 A:GOL512 3.6 32.3 1.0 CA A:LYS275 3.7 16.9 1.0 CB A:LYS275 3.7 17.1 1.0 NZ A:LYS275 3.8 16.0 1.0 CG2 A:VAL276 3.9 15.6 1.0 O A:VAL276 3.9 16.3 1.0 CG A:LYS275 3.9 18.5 1.0 C A:LYS275 4.0 16.0 1.0 CA A:VAL276 4.4 14.6 1.0 C A:VAL276 4.6 16.6 1.0 CE A:LYS275 4.6 17.9 1.0 CB A:VAL276 4.6 14.6 1.0 CD A:LYS275 4.9 20.0 1.0 C1 A:GOL512 4.9 35.5 1.0

S.J.Williams, B.L.Mark, D.J.Vocadlo, M.N.James, S.G.Withers. Aspartate 313 in the Streptomyces Plicatus Hexosaminidase Plays A Critical Role in Substrate-Assisted Catalysis By Orienting the 2-Acetamido Group and Stabilizing the Transition State. J.Biol.Chem. V. 277 40055 2002.
ISSN: ISSN 0021-9258
PubMed: 12171933
DOI: 10.1074/JBC.M206481200