Chlorine in PDB 3nh4: Crystal Structure of Murine Aminoacylase 3

The structure of Crystal Structure of Murine Aminoacylase 3, PDB code: 3nh4 was solved by J.M.Hsieh, K.Tsirulnikov, M.R.Sawaya, N.Magilnick, N.Abuladze, I.Kurtz, J.Abramson, A.Pushkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.00 / 2.00
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	93.661, 93.661, 97.128, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 20.7

The structure of Crystal Structure of Murine Aminoacylase 3 also contains other interesting chemical elements:

Caesium	(Cs)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Murine Aminoacylase 3 (pdb code 3nh4). 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 Structure of Murine Aminoacylase 3, PDB code: 3nh4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Murine Aminoacylase 3


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 Murine Aminoacylase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl322 b:43.9 occ:1.00 OD1 A:ASP250 2.7 25.3 1.0 O A:ILE282 2.9 24.7 1.0 N A:ASN121 3.0 25.3 1.0 N A:ASP248 3.1 23.4 1.0 CA A:ASP248 3.3 24.2 1.0 NE2 A:GLN247 3.5 23.1 1.0 CB A:ILE282 3.6 26.3 1.0 CA A:ALA120 3.6 26.2 1.0 CG A:ASP250 3.7 26.6 1.0 C A:ALA120 3.7 26.6 1.0 OD1 A:ASP248 3.8 30.0 1.0 C A:ILE282 3.8 23.4 1.0 CB A:ALA120 3.9 21.4 1.0 CB A:ASN121 3.9 25.5 1.0 CA A:ASN121 3.9 26.8 1.0 CG2 A:ILE282 4.0 26.1 1.0 OD2 A:ASP250 4.0 26.4 1.0 C A:ASP248 4.1 25.9 1.0 CA A:ILE282 4.1 22.3 1.0 O A:HOH328 4.1 24.4 1.0 N A:ILE282 4.4 24.6 1.0 N A:HIS249 4.4 25.0 1.0 C A:GLN247 4.4 25.6 1.0 CB A:ASP248 4.5 24.1 1.0 CD A:GLN247 4.5 26.1 1.0 CG A:ASP248 4.6 28.1 1.0 CG1 A:ILE282 4.7 25.4 1.0 C A:ASN121 4.7 30.6 1.0 CD1 A:ILE282 4.8 25.0 1.0 O A:ASP248 4.9 28.8 1.0 CA A:GLN247 4.9 27.7 1.0 O A:THR119 4.9 24.9 1.0 O A:ALA120 4.9 21.1 1.0 N A:ASP250 5.0 26.6 1.0 N A:ALA120 5.0 25.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Murine Aminoacylase 3


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 Murine Aminoacylase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl323 b:75.2 occ:1.00 ND1 A:HIS137 3.2 42.0 1.0 ND1 A:HIS140 3.3 48.4 1.0 O A:HIS137 3.7 36.6 1.0 NH1 A:ARG144 3.8 79.9 1.0 CB A:HIS137 4.1 37.6 1.0 CG A:HIS137 4.1 38.5 1.0 CA A:HIS137 4.1 34.5 1.0 CG A:HIS140 4.2 42.1 1.0 CE1 A:HIS137 4.2 42.4 1.0 CB A:HIS140 4.2 39.5 1.0 CE1 A:HIS140 4.2 50.0 1.0 CE1 A:PHE217 4.2 35.2 1.0 C A:HIS137 4.3 37.4 1.0 CD2 A:LEU214 4.6 50.7 1.0 N A:TYR141 4.6 33.6 1.0 CD1 A:PHE217 4.6 37.3 1.0 CB A:LEU214 4.7 40.9 1.0 CZ A:PHE217 4.8 37.3 1.0 CE1 A:PHE204 4.9 37.6 1.0 CB A:TYR141 4.9 35.7 1.0

J.M.Hsieh, K.Tsirulnikov, M.R.Sawaya, N.Magilnick, N.Abuladze, I.Kurtz, J.Abramson, A.Pushkin. Structures of Aminoacylase 3 in Complex with Acetylated Substrates. Proc.Natl.Acad.Sci.Usa V. 107 17962 2010.
ISSN: ISSN 0027-8424
PubMed: 20921362
DOI: 10.1073/PNAS.1006687107