Chlorine in PDB 3vot: Crystal Structure of L-Amino Acid Ligase From Bacillus Licheniformis

All present enzymatic activity of Crystal Structure of L-Amino Acid Ligase From Bacillus Licheniformis:
6.3.2.28;

The structure of Crystal Structure of L-Amino Acid Ligase From Bacillus Licheniformis, PDB code: 3vot was solved by M.Suzuki, Y.Takahashi, A.Noguchi, T.Arai, M.Yagasaki, K.Kino, J.Saito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.46 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.090, 90.030, 154.910, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.1

The structure of Crystal Structure of L-Amino Acid Ligase From Bacillus Licheniformis also contains other interesting chemical elements:

Calcium

(Ca)

9 atoms

The binding sites of Chlorine atom in the Crystal Structure of L-Amino Acid Ligase From Bacillus Licheniformis (pdb code 3vot). 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 L-Amino Acid Ligase From Bacillus Licheniformis, PDB code: 3vot:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of L-Amino Acid Ligase From Bacillus Licheniformis


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 L-Amino Acid Ligase From Bacillus Licheniformis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:23.5 occ:1.00 O A:HOH1109 3.0 38.2 1.0 O A:HOH1265 3.2 41.0 1.0 N A:ASN36 3.3 20.6 1.0 N A:GLN13 3.5 18.3 1.0 CA A:CYS12 3.5 17.6 1.0 O A:GLN13 3.7 20.8 1.0 CB A:TYR35 3.8 19.4 1.0 CA A:TYR35 3.8 19.3 1.0 CB A:ASN36 3.8 22.4 1.0 CB A:CYS12 3.9 18.1 1.0 C A:CYS12 4.0 17.6 1.0 C A:TYR35 4.1 20.4 1.0 SG A:CYS12 4.1 20.0 1.0 CA A:ASN36 4.2 22.3 1.0 CZ A:PHE33 4.2 16.5 1.0 C A:GLN13 4.3 19.9 1.0 O A:HOH1108 4.3 38.7 1.0 CG A:GLU39 4.4 28.7 1.0 O A:HOH1255 4.4 32.4 1.0 CA A:GLN13 4.5 18.5 1.0 N A:CYS12 4.6 16.5 1.0 CE1 A:PHE33 4.7 16.3 1.0 O A:ASN36 4.9 24.2 1.0 CG A:TYR35 4.9 20.6 1.0 CB A:GLU39 5.0 27.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of L-Amino Acid Ligase From Bacillus Licheniformis


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 L-Amino Acid Ligase From Bacillus Licheniformis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:26.2 occ:1.00 O B:HOH831 3.1 37.5 1.0 N B:ASN36 3.2 26.5 1.0 N B:GLN13 3.5 18.0 1.0 CA B:CYS12 3.5 18.6 1.0 CA B:TYR35 3.6 22.3 1.0 O B:HOH794 3.7 44.1 1.0 CB B:TYR35 3.7 22.0 1.0 O B:GLN13 3.7 20.8 1.0 CB B:CYS12 3.8 19.4 1.0 CB B:ASN36 3.9 30.4 1.0 C B:TYR35 3.9 24.9 1.0 C B:CYS12 4.0 17.4 1.0 SG B:CYS12 4.0 22.3 1.0 CA B:ASN36 4.1 29.2 1.0 CZ B:PHE33 4.3 17.9 1.0 C B:GLN13 4.4 19.4 1.0 CA B:GLN13 4.6 18.3 1.0 N B:CYS12 4.6 17.9 1.0 CE1 B:PHE33 4.6 17.8 1.0 OE2 B:GLU39 4.7 49.1 1.0 O B:PHE34 4.7 18.5 1.0 O B:HOH887 4.8 34.1 1.0 N B:TYR35 4.9 21.4 1.0 CD B:GLU39 4.9 48.3 1.0 CG B:TYR35 5.0 22.9 1.0

M.Suzuki, Y.Takahashi, A.Noguchi, T.Arai, M.Yagasaki, K.Kino, J.Saito. The Structure of L-Amino-Acid Ligase From Bacillus Licheniformis Acta Crystallogr.,Sect.D V. 68 1535 2012.
ISSN: ISSN 0907-4449
PubMed: 23090402
DOI: 10.1107/S0907444912038103