Chlorine in PDB 4u10: Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans

The structure of Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans, PDB code: 4u10 was solved by D.Varudharasu, R.Narayanan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.48 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.240, 67.100, 101.010, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 22

The structure of Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans also contains other interesting chemical elements:

Zinc

(Zn)

9 atoms

The binding sites of Chlorine atom in the Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans (pdb code 4u10). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans, PDB code: 4u10:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:16.7 occ:1.00 ZN A:ZN402 2.2 14.7 1.0 O A:HOH566 3.1 18.7 1.0 O A:HOH551 3.4 6.2 1.0 OD2 A:ASP98 3.4 12.6 1.0 NE2 A:HIS34 3.5 16.9 1.0 NH2 A:ARG271 3.6 13.7 1.0 CD1 A:LEU256 3.6 19.2 1.0 N A:GLY235 3.7 16.3 1.0 CE1 A:HIS34 3.8 15.8 1.0 CD2 A:LEU256 3.8 18.7 1.0 N A:TYR234 3.9 16.7 1.0 CA A:TYR234 3.9 16.4 1.0 CG A:LEU256 3.9 19.6 1.0 C A:TYR234 3.9 17.1 1.0 O A:HOH556 4.0 14.3 1.0 O A:TRP232 4.2 11.8 1.0 CA A:GLY235 4.4 16.1 1.0 CD1 A:LEU273 4.6 19.3 1.0 CG A:ASP98 4.7 14.4 1.0 O A:TYR234 4.7 16.6 1.0 CD2 A:HIS34 4.8 15.1 1.0 CZ A:ARG271 4.8 13.3 1.0 C A:PRO233 4.9 14.4 1.0

Chlorine binding site 2 out of 2 in the Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:17.1 occ:1.00 ZN B:ZN402 2.2 14.6 1.0 O B:HOH543 3.2 10.0 1.0 O B:HOH571 3.3 21.6 1.0 OD2 B:ASP98 3.4 13.8 1.0 NE2 B:HIS34 3.5 11.2 1.0 NH2 B:ARG271 3.5 14.9 1.0 N B:GLY235 3.6 17.1 1.0 N B:TYR234 3.6 16.7 1.0 CD1 B:LEU256 3.7 17.2 1.0 CA B:TYR234 3.7 15.6 1.0 C B:TYR234 3.8 16.0 1.0 CE1 B:HIS34 3.8 10.2 1.0 CD2 B:LEU256 3.9 17.2 1.0 CG B:LEU256 3.9 18.3 1.0 O B:HOH547 4.0 13.3 1.0 O B:TRP232 4.0 14.8 1.0 O B:HOH602 4.2 30.7 1.0 CA B:GLY235 4.4 18.8 1.0 O B:TYR234 4.6 14.3 1.0 C B:PRO233 4.6 16.2 1.0 CG B:ASP98 4.6 13.0 1.0 CD1 B:LEU273 4.7 17.5 1.0 CZ B:ARG271 4.8 14.8 1.0 CD2 B:HIS34 4.8 11.6 1.0

D.Varudharsu, R.Narayanan. Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans To Be Published.