Chlorine in PDB 1hp4: Crystal Structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase

All present enzymatic activity of Crystal Structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase:
3.2.1.52;

The structure of Crystal Structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase, PDB code: 1hp4 was solved by B.L.Mark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.19 / 2.20
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	133.100, 133.100, 176.789, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 20.9

The binding sites of Chlorine atom in the Crystal Structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase (pdb code 1hp4). 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 Streptomyces Plicatus Beta-N-Acetylhexosaminidase, PDB code: 1hp4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase


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 Streptomyces Plicatus Beta-N-Acetylhexosaminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:14.4 occ:1.00 OH A:TYR271 3.0 10.9 1.0 O A:HOH561 3.1 12.9 1.0 CD A:LYS275 3.7 16.1 1.0 CE1 A:TYR271 3.7 12.1 1.0 CZ A:TYR271 3.8 12.8 1.0 CG A:LYS275 4.2 16.1 1.0 CB A:LYS275 4.4 15.2 1.0 CA A:GLY273 4.5 13.8 1.0 CE A:LYS275 4.7 15.9 1.0 N A:THR274 4.9 14.4 1.0 CD1 A:TYR271 5.0 12.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase


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 Streptomyces Plicatus Beta-N-Acetylhexosaminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:12.6 occ:1.00 NE A:ARG179 3.2 9.5 1.0 O A:HOH556 3.2 15.4 1.0 NH1 A:ARG176 3.2 10.6 1.0 NH2 A:ARG179 3.4 7.3 1.0 O A:ASP175 3.7 11.3 1.0 CZ A:ARG179 3.7 11.7 1.0 C A:ASP175 3.7 10.6 1.0 CD A:ARG176 3.8 8.6 1.0 CB A:ASP175 3.8 13.4 1.0 O A:HOH538 3.8 9.9 1.0 N A:ARG176 3.9 10.4 1.0 CA A:ARG176 4.1 10.7 1.0 CD A:ARG179 4.2 10.2 1.0 CZ A:ARG176 4.3 10.7 1.0 CA A:ASP175 4.4 11.8 1.0 CD1 A:ILE495 4.5 9.3 1.0 NE A:ARG176 4.5 9.7 1.0 CG A:ARG176 4.5 10.8 1.0 CG A:ARG179 4.8 9.3 1.0 CB A:ARG176 4.9 10.1 1.0 O A:ARG172 4.9 8.2 1.0 NH2 A:ARG121 5.0 9.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase


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 Streptomyces Plicatus Beta-N-Acetylhexosaminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:24.2 occ:1.00 O A:HOH542 3.0 13.9 1.0 N A:ALA225 3.2 10.6 1.0 N A:LYS224 3.4 12.1 1.0 CB A:LYS224 3.6 15.3 1.0 CB A:THR223 3.7 11.6 1.0 CB A:ALA225 3.7 10.0 1.0 CA A:LYS224 3.9 13.4 1.0 OG1 A:THR223 4.0 9.9 1.0 C A:LYS224 4.0 12.9 1.0 CA A:ALA225 4.0 11.8 1.0 CG A:LYS224 4.1 22.6 1.0 C A:THR223 4.2 11.9 1.0 CA A:THR223 4.5 10.7 1.0 CG2 A:THR223 4.6 8.8 1.0 O A:HOH878 5.0 37.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase


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 Streptomyces Plicatus Beta-N-Acetylhexosaminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:22.7 occ:1.00 NZ A:LYS275 3.3 13.9 1.0 N A:VAL276 3.4 13.7 1.0 CB A:LYS275 3.6 15.2 1.0 CA A:LYS275 3.7 15.4 1.0 CG A:LYS275 3.7 16.1 1.0 O1 A:GOL513 4.0 31.1 1.0 O A:VAL276 4.0 14.6 1.0 C A:LYS275 4.0 15.2 1.0 CG2 A:VAL276 4.1 15.5 1.0 CE A:LYS275 4.3 15.9 1.0 CA A:VAL276 4.4 14.4 1.0 CD A:LYS275 4.6 16.1 1.0 C A:VAL276 4.6 15.7 1.0 CB A:VAL276 4.8 14.8 1.0

B.L.Mark, D.J.Vocadlo, S.Knapp, B.L.Triggs-Raine, S.G.Withers, M.N.James. Crystallographic Evidence For Substrate-Assisted Catalysis in A Bacterial Beta-Hexosaminidase. J.Biol.Chem. V. 276 10330 2001.
ISSN: ISSN 0021-9258
PubMed: 11124970
DOI: 10.1074/JBC.M011067200