Chlorine in PDB 1hp5: Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline

All present enzymatic activity of Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline:
3.2.1.52;

The structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline, PDB code: 1hp5 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)	43.83 / 2.10
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	133.621, 133.621, 174.194, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 22.2

The binding sites of Chlorine atom in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline (pdb code 1hp5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline, PDB code: 1hp5:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:22.3 occ:1.00 OH A:TYR271 2.9 20.1 1.0 O A:HOH539 2.9 22.1 1.0 CE1 A:TYR271 3.6 20.9 1.0 CZ A:TYR271 3.7 21.5 1.0 CD A:LYS275 3.7 19.3 1.0 CG A:LYS275 4.1 21.0 1.0 CA A:GLY273 4.2 23.3 1.0 CB A:LYS275 4.3 21.5 1.0 N A:THR274 4.6 23.8 1.0 CE A:LYS275 4.8 15.6 1.0 N A:LYS275 4.8 22.2 1.0 C A:GLY273 4.9 24.6 1.0 CD1 A:TYR271 4.9 20.7 1.0

Chlorine binding site 2 out of 3 in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:23.7 occ:1.00 O A:HOH588 3.1 33.0 1.0 NE A:ARG179 3.1 23.1 1.0 NH1 A:ARG176 3.2 21.7 1.0 NH2 A:ARG179 3.3 21.6 1.0 CZ A:ARG179 3.6 26.0 1.0 O A:ASP175 3.8 19.4 1.0 C A:ASP175 3.8 21.5 1.0 O A:HOH570 3.8 23.3 1.0 CB A:ASP175 3.8 23.5 1.0 CD A:ARG176 3.8 23.2 1.0 N A:ARG176 4.0 20.2 1.0 CA A:ARG176 4.1 21.3 1.0 CD A:ARG179 4.2 21.9 1.0 CZ A:ARG176 4.3 24.1 1.0 CD1 A:ILE495 4.3 22.7 1.0 CA A:ASP175 4.5 22.6 1.0 NE A:ARG176 4.5 23.4 1.0 CG A:ARG176 4.6 23.1 1.0 CG A:ARG179 4.7 20.5 1.0 NH2 A:ARG121 4.8 22.7 1.0 NH1 A:ARG179 4.9 24.2 1.0 CB A:ARG176 4.9 21.2 1.0 O A:ARG172 5.0 20.7 1.0

Chlorine binding site 3 out of 3 in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Streptomyces Plicatus Beta-N-Acetylhexosaminidase Complexed with Intermediate Analouge Nag-Thiazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:20.1 occ:1.00 N A:VAL276 3.4 23.3 1.0 NZ A:LYS275 3.5 17.0 1.0 CA A:LYS275 3.6 23.1 1.0 CB A:LYS275 3.7 21.5 1.0 O1 A:GOL512 3.9 29.0 1.0 CG A:LYS275 3.9 21.0 1.0 C A:LYS275 4.0 22.7 1.0 CG2 A:VAL276 4.0 22.1 1.0 O A:VAL276 4.3 22.1 1.0 CA A:VAL276 4.5 22.4 1.0 CE A:LYS275 4.5 15.6 1.0 CB A:VAL276 4.6 22.0 1.0 CG1 A:VAL276 4.7 22.0 1.0 CD A:LYS275 4.8 19.3 1.0 O A:THR274 4.8 21.9 1.0 C A:VAL276 4.8 23.4 1.0 N A:LYS275 4.9 22.2 1.0 O A:HOH579 5.0 28.8 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