Chlorine in PDB 3nh5: Crystal Structure of E177A-Mutant Murine Aminoacylase 3

The structure of Crystal Structure of E177A-Mutant Murine Aminoacylase 3, PDB code: 3nh5 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 / 2.09
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	93.247, 93.247, 97.469, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / 22.7

The structure of Crystal Structure of E177A-Mutant Murine Aminoacylase 3 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of E177A-Mutant Murine Aminoacylase 3 (pdb code 3nh5). 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 E177A-Mutant Murine Aminoacylase 3, PDB code: 3nh5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of E177A-Mutant 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 E177A-Mutant Murine Aminoacylase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl320 b:68.8 occ:1.00 ND1 A:HIS137 3.3 31.4 1.0 ND1 A:HIS140 3.4 53.9 1.0 O A:HIS137 3.8 31.7 1.0 NH1 A:ARG144 3.8 68.5 1.0 CB A:HIS137 4.0 33.7 1.0 CG A:HIS137 4.0 35.7 1.0 CA A:HIS137 4.1 31.4 1.0 CB A:HIS140 4.2 36.2 1.0 CG A:HIS140 4.2 48.5 1.0 CE1 A:HIS137 4.3 32.8 1.0 C A:HIS137 4.3 30.7 1.0 CE1 A:HIS140 4.4 48.8 1.0 CE1 A:PHE217 4.4 40.4 1.0 N A:TYR141 4.6 38.3 1.0 CB A:LEU214 4.6 38.8 1.0 CD2 A:LEU214 4.6 39.3 1.0 CD1 A:PHE217 4.7 36.2 1.0 CE1 A:PHE204 4.9 28.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of E177A-Mutant 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 E177A-Mutant Murine Aminoacylase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl321 b:49.4 occ:1.00 O A:ILE282 2.7 27.0 1.0 OD1 A:ASP250 2.8 32.1 1.0 N A:ASN121 3.1 32.4 1.0 N A:ASP248 3.3 34.7 1.0 NE2 A:GLN247 3.4 29.9 1.0 CA A:ASP248 3.4 33.3 1.0 CB A:ILE282 3.5 35.0 1.0 CA A:ALA120 3.6 29.9 1.0 C A:ILE282 3.7 26.4 1.0 CB A:ALA120 3.8 30.4 1.0 OD1 A:ASP248 3.8 42.4 1.0 C A:ALA120 3.8 34.2 1.0 CG A:ASP250 3.8 34.3 1.0 CB A:ASN121 3.9 32.1 1.0 CG2 A:ILE282 3.9 32.6 1.0 OD2 A:ASP250 4.0 32.7 1.0 CA A:ILE282 4.1 29.7 1.0 CA A:ASN121 4.1 36.0 1.0 O A:HOH346 4.1 33.7 1.0 C A:ASP248 4.3 30.8 1.0 N A:ILE282 4.3 31.5 1.0 CD A:GLN247 4.5 35.0 1.0 C A:GLN247 4.5 40.6 1.0 N A:HIS249 4.6 31.0 1.0 CB A:ASP248 4.6 35.9 1.0 CG1 A:ILE282 4.6 33.6 1.0 CG A:ASP248 4.6 41.4 1.0 N A:ALA120 4.8 31.5 1.0 CD1 A:ILE282 4.8 31.4 1.0 O A:THR119 4.9 36.9 1.0 N A:ASN283 4.9 31.8 1.0 C A:ASN121 4.9 40.9 1.0 CB A:ASN283 4.9 28.4 1.0 CA A:GLN247 5.0 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