Chlorine in PDB 3nfz: Crystal Structure of Murine Aminoacylase 3 in Complex with N-Acetyl-L- Tyrosine

The structure of Crystal Structure of Murine Aminoacylase 3 in Complex with N-Acetyl-L- Tyrosine, PDB code: 3nfz 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)	46.75 / 2.15
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	93.498, 93.498, 98.037, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 19.7

The structure of Crystal Structure of Murine Aminoacylase 3 in Complex with N-Acetyl-L- Tyrosine also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Murine Aminoacylase 3 in Complex with N-Acetyl-L- Tyrosine (pdb code 3nfz). 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 in Complex with N-Acetyl-L- Tyrosine, PDB code: 3nfz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Murine Aminoacylase 3 in Complex with N-Acetyl-L- Tyrosine


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 in Complex with N-Acetyl-L- Tyrosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl320 b:33.8 occ:0.62 O A:ILE282 2.8 25.8 1.0 OD1 A:ASP250 2.8 29.3 1.0 N A:ASN121 3.1 26.0 1.0 N A:ASP248 3.2 27.7 1.0 CA A:ASP248 3.4 27.4 1.0 CB A:ILE282 3.5 31.1 1.0 NE2 A:GLN247 3.5 24.5 1.0 CA A:ALA120 3.6 27.9 1.0 C A:ILE282 3.7 26.8 1.0 CG A:ASP250 3.7 31.9 1.0 OD1 A:ASP248 3.8 35.1 1.0 CB A:ALA120 3.8 26.8 1.0 C A:ALA120 3.8 27.4 1.0 CB A:ASN121 3.9 21.7 1.0 OD2 A:ASP250 3.9 29.8 1.0 CG2 A:ILE282 4.0 27.3 1.0 CA A:ILE282 4.0 25.4 1.0 CA A:ASN121 4.1 29.0 1.0 O A:HOH345 4.2 29.4 1.0 C A:ASP248 4.2 30.7 1.0 N A:ILE282 4.3 25.8 1.0 C A:GLN247 4.4 30.8 1.0 CG1 A:ILE282 4.5 33.1 1.0 N A:HIS249 4.5 27.9 1.0 CD A:GLN247 4.5 27.6 1.0 CB A:ASP248 4.6 30.9 1.0 CG A:ASP248 4.6 37.3 1.0 CD1 A:ILE282 4.7 28.6 1.0 CA A:GLN247 4.8 36.0 1.0 C A:ASN121 4.9 29.6 1.0 N A:ASN283 4.9 22.9 1.0 O A:THR119 4.9 26.1 1.0 N A:ALA120 5.0 23.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Murine Aminoacylase 3 in Complex with N-Acetyl-L- Tyrosine


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 in Complex with N-Acetyl-L- Tyrosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl321 b:65.8 occ:1.00 ND1 A:HIS140 3.2 49.8 1.0 ND1 A:HIS137 3.2 33.4 1.0 O A:HIS137 3.8 32.3 1.0 CG A:HIS140 4.1 39.9 1.0 CB A:HIS140 4.1 31.2 1.0 CG A:HIS137 4.1 32.6 1.0 CB A:HIS137 4.1 29.3 1.0 CA A:HIS137 4.1 29.8 1.0 CE1 A:HIS140 4.2 47.4 1.0 CE1 A:HIS137 4.2 37.0 1.0 C A:HIS137 4.4 33.6 1.0 CE1 A:PHE217 4.4 36.4 1.0 N A:TYR141 4.6 33.7 1.0 CD1 A:PHE217 4.6 32.5 1.0 NH1 A:ARG144 4.6 91.2 1.0 CB A:LEU214 4.6 38.1 1.0 CD2 A:LEU214 4.8 40.1 1.0 C A:HIS140 4.9 37.8 1.0 O A:PRO215 5.0 37.1 1.0 CZ A:PHE217 5.0 33.8 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