Chlorine in PDB 3lmy: The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine

All present enzymatic activity of The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine:
3.2.1.52;

The structure of The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine, PDB code: 3lmy was solved by K.S.Bateman, M.M.Cherney, S.G.Withers, D.J.Mahuran, M.Tropak, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.90 / 2.80
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	113.898, 113.898, 397.427, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / 25.2

The binding sites of Chlorine atom in the The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine (pdb code 3lmy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine, PDB code: 3lmy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl562 b:0.6 occ:1.00 CL1 A:CP6562 0.0 0.6 1.0 C10 A:CP6562 1.8 97.7 1.0 C9 A:CP6562 2.8 95.0 1.0 C11 A:CP6562 2.8 94.6 1.0 CD2 A:LEU453 3.4 41.0 1.0 CD1 A:LEU453 3.6 38.5 1.0 CG A:LEU453 3.6 42.4 1.0 CD2 A:TYR450 3.9 57.4 1.0 C8 A:CP6562 4.1 90.6 1.0 C12 A:CP6562 4.1 89.6 1.0 OD2 A:ASP452 4.4 56.2 1.0 CE2 A:TYR450 4.5 58.8 1.0 C7 A:CP6562 4.6 86.2 1.0 O A:HOH591 4.7 39.8 1.0 CG A:TYR450 4.8 52.6 1.0 CB A:TYR450 4.9 48.8 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl563 b:86.2 occ:1.00 CL1 B:CP6563 0.0 86.2 1.0 C10 B:CP6563 1.8 81.8 1.0 C9 B:CP6563 2.8 79.8 1.0 C11 B:CP6563 2.9 78.2 1.0 O B:HOH573 3.1 40.2 1.0 CD1 B:LEU453 4.0 44.8 1.0 C8 B:CP6563 4.1 75.3 1.0 C12 B:CP6563 4.2 75.2 1.0 CD2 B:TYR450 4.2 63.1 1.0 CE2 B:TYR450 4.5 67.1 1.0 CD2 B:LEU453 4.6 44.2 1.0 C7 B:CP6563 4.7 72.5 1.0 CG B:LEU453 4.7 47.8 1.0 CZ3 B:TRP424 4.9 54.4 1.0

K.S.Bateman, M.M.Cherney, S.G.Withers, D.J.Mahuran, M.Tropak, M.N.G.James. The Crystal Structure of Beta-Hexosaminidase B in Complex with Pyrimethamine To Be Published.