Chlorine in PDB 3jqy: Crystal Strucutre of the Polysia Specific Acetyltransferase Neuo

All present enzymatic activity of Crystal Strucutre of the Polysia Specific Acetyltransferase Neuo:
2.3.1.136;

The structure of Crystal Strucutre of the Polysia Specific Acetyltransferase Neuo, PDB code: 3jqy was solved by E.-C.Schulz, A.Bergfeld, M.Muehlenhoff, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.36 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.833, 88.366, 72.996, 90.00, 106.62, 90.00
R / Rfree (%)	16.6 / 19.5

The binding sites of Chlorine atom in the Crystal Strucutre of the Polysia Specific Acetyltransferase Neuo (pdb code 3jqy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Strucutre of the Polysia Specific Acetyltransferase Neuo, PDB code: 3jqy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Strucutre of the Polysia Specific Acetyltransferase Neuo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Strucutre of the Polysia Specific Acetyltransferase Neuo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl253 b:50.6 occ:1.00 O A:HOH856 3.2 44.7 1.0 O A:SER50 3.2 20.6 1.0 C A:SER50 3.9 18.5 1.0 N A:SER50 4.0 15.6 1.0 C A:ASN49 4.0 18.6 1.0 CB A:LYS51 4.1 17.0 1.0 NH1 A:ARG73 4.1 19.4 1.0 OD1 A:ASN49 4.1 24.5 1.0 O A:ASN49 4.4 16.9 1.0 CA A:ASN49 4.4 17.6 1.0 CA A:SER50 4.5 11.9 1.0 CD A:LYS51 4.6 27.1 1.0 N A:LYS51 4.7 16.2 1.0 O A:HOH515 4.7 40.1 1.0 CG A:LYS51 4.7 19.2 1.0 O A:HOH642 4.8 42.6 1.0 CA A:LYS51 4.9 13.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Strucutre of the Polysia Specific Acetyltransferase Neuo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Strucutre of the Polysia Specific Acetyltransferase Neuo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl255 b:42.3 occ:1.00 O A:HOH379 2.9 26.2 1.0 CE1 A:HIS89 3.0 18.8 1.0 NE2 A:HIS89 3.3 29.5 1.0 NH1 A:ARG87 3.5 30.5 1.0 CG2 A:ILE107 3.6 15.8 0.6 CG2 A:ILE107 3.7 15.8 0.4 CD A:ARG87 3.9 15.6 1.0 CD1 A:ILE107 4.0 15.3 0.4 CZ A:ARG87 4.2 29.3 1.0 ND1 A:HIS89 4.3 19.0 1.0 NE A:ARG87 4.3 20.4 1.0 CG1 A:ILE107 4.5 14.1 0.4 CG1 A:ILE107 4.7 14.5 0.6 CD2 A:HIS89 4.7 14.1 1.0 CB A:ILE107 4.7 12.5 0.4 CB A:ILE107 4.7 12.5 0.6 CD1 A:ILE107 4.7 13.8 0.6 CG A:ARG87 5.0 14.2 1.0

E.C.Schulz, A.K.Bergfeld, R.Ficner, M.Muhlenhoff. Crystal Structure Analysis of the Polysialic Acid Specific O-Acetyltransferase Neuo Plos One V. 6 17403 2011.
ISSN: ESSN 1932-6203
PubMed: 21390252
DOI: 10.1371/JOURNAL.PONE.0017403