Chlorine in PDB 3aqj: Crystal Structure of A C-Terminal Domain of the Bacteriophage P2 Tail Spike Protein, Gpv

The structure of Crystal Structure of A C-Terminal Domain of the Bacteriophage P2 Tail Spike Protein, Gpv, PDB code: 3aqj was solved by S.Takeda, E.Yamashita, A.Nakagawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.42 / 1.27
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.912, 64.463, 67.186, 90.00, 91.32, 90.00
R / Rfree (%)	16 / 19

The structure of Crystal Structure of A C-Terminal Domain of the Bacteriophage P2 Tail Spike Protein, Gpv also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Iron	(Fe)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A C-Terminal Domain of the Bacteriophage P2 Tail Spike Protein, Gpv (pdb code 3aqj). 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 A C-Terminal Domain of the Bacteriophage P2 Tail Spike Protein, Gpv, PDB code: 3aqj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A C-Terminal Domain of the Bacteriophage P2 Tail Spike Protein, Gpv


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 A C-Terminal Domain of the Bacteriophage P2 Tail Spike Protein, Gpv within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl136 b:8.7 occ:1.00 N C:ASP125 3.3 6.9 1.0 N A:ASP125 3.3 8.0 1.0 N B:ASP125 3.3 9.7 1.0 OD1 C:ASP125 3.5 9.0 1.0 OD1 B:ASP125 3.5 10.2 1.0 OD1 A:ASP125 3.6 8.6 1.0 CA B:GLY124 3.6 9.7 1.0 CA A:GLY124 3.6 7.9 1.0 CA C:GLY124 3.7 7.9 1.0 CG C:ASP125 3.8 8.0 1.0 CA C:CA135 3.9 9.3 1.0 CG B:ASP125 3.9 10.0 1.0 C C:GLY124 4.0 7.5 1.0 C A:GLY124 4.0 10.6 1.0 CG A:ASP125 4.0 8.8 1.0 C B:GLY124 4.0 8.6 1.0 CG2 B:THR130 4.2 6.5 1.0 CB C:ASP125 4.3 9.3 1.0 CG2 A:THR130 4.3 8.4 1.0 CA C:ASP125 4.3 7.5 1.0 CG2 C:THR130 4.4 7.2 1.0 CA B:ASP125 4.4 10.7 1.0 CB A:ASP125 4.4 8.9 1.0 CA A:ASP125 4.4 9.3 1.0 CB B:ASP125 4.4 10.3 1.0 OD2 B:ASP125 4.5 10.3 1.0 OD2 C:ASP125 4.5 8.3 1.0 OD2 A:ASP125 4.6 8.4 1.0 N B:GLY124 5.0 8.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A C-Terminal Domain of the Bacteriophage P2 Tail Spike Protein, Gpv


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 A C-Terminal Domain of the Bacteriophage P2 Tail Spike Protein, Gpv within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl137 b:8.2 occ:1.00 N Q:ASP125 3.3 8.3 1.0 N P:ASP125 3.3 7.0 1.0 N R:ASP125 3.3 8.6 1.0 OD1 R:ASP125 3.5 9.1 1.0 OD1 P:ASP125 3.5 8.2 1.0 OD1 Q:ASP125 3.5 7.4 1.0 CA R:GLY124 3.6 7.6 1.0 CA P:GLY124 3.6 7.1 1.0 CA Q:GLY124 3.7 8.8 1.0 CA P:CA136 3.9 8.9 1.0 CG P:ASP125 3.9 8.1 1.0 CG Q:ASP125 3.9 7.7 1.0 C R:GLY124 4.0 7.1 1.0 CG R:ASP125 4.0 7.7 1.0 C P:GLY124 4.0 7.4 1.0 C Q:GLY124 4.0 8.5 1.0 CG2 R:THR130 4.1 7.2 1.0 CB P:ASP125 4.3 8.7 1.0 CB Q:ASP125 4.3 8.7 1.0 CG2 P:THR130 4.3 7.6 1.0 CA Q:ASP125 4.3 9.9 1.0 CA P:ASP125 4.3 7.9 1.0 CG2 Q:THR130 4.4 6.8 1.0 CA R:ASP125 4.4 9.1 1.0 CB R:ASP125 4.4 9.6 1.0 OD2 R:ASP125 4.5 7.5 1.0 OD2 Q:ASP125 4.5 8.1 1.0 OD2 P:ASP125 4.5 9.2 1.0 N R:GLY124 4.9 6.6 1.0

E.Yamashita, A.Nakagawa, J.Takahashi, K.Tsunoda, S.Yamada, S.Takeda. The Host-Binding Domain of the P2 Phage Tail Spike Reveals A Trimeric Iron-Binding Structure Acta Crystallogr.,Sect.F V. 67 837 2011.
ISSN: ESSN 1744-3091
PubMed: 21821878
DOI: 10.1107/S1744309111005999