Chlorine in PDB 6e1r: Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein

The structure of Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein, PDB code: 6e1r was solved by M.Plattner, M.M.Shneider, H.Oliveira, J.Azeredo, P.G.Leiman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.12 / 2.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.123, 90.015, 508.604, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.8

The structure of Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein (pdb code 6e1r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein, PDB code: 6e1r:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein


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 the Acinetobacter Phage VB_APIP_P1 Tailspike Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:58.9 occ:1.00 ND2 C:ASN582 4.0 54.8 1.0 ND2 A:ASN582 4.1 54.6 1.0 ND2 B:ASN582 4.2 49.4 1.0 NH2 A:ARG613 4.3 48.1 1.0 NE A:ARG613 4.4 38.2 1.0 NH2 C:ARG613 4.5 34.1 1.0 NE C:ARG613 4.6 34.0 1.0 O C:HOH1041 4.7 48.1 1.0 NE B:ARG613 4.7 39.7 1.0 CG A:ASN582 4.7 57.2 1.0 NH2 B:ARG613 4.8 42.5 1.0 OD1 A:ASN582 4.8 68.0 1.0 CG C:ASN582 4.8 52.6 1.0 CG B:ASN582 4.8 44.7 1.0 OD1 B:ASN582 4.8 45.6 1.0 CZ A:ARG613 4.8 41.5 1.0 OD1 C:ASN582 5.0 55.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein


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 the Acinetobacter Phage VB_APIP_P1 Tailspike Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl802 b:94.4 occ:1.00 O C:HOH949 2.5 37.0 1.0 OD1 C:ASP293 3.0 64.5 1.0 O C:GLU319 3.0 44.9 1.0 OD1 C:ASP321 3.2 60.1 1.0 OD1 C:ASN297 3.3 67.4 1.0 OD2 C:ASP321 3.4 58.5 1.0 CG C:ASP321 3.6 56.6 1.0 ND2 C:ASN297 3.8 64.4 1.0 CG C:ASN297 3.8 62.7 1.0 C C:GLU319 3.9 44.3 1.0 CG C:ASP293 4.0 60.8 1.0 CB C:GLU319 4.1 42.2 1.0 N C:GLU319 4.2 40.7 1.0 CA C:GLU319 4.3 50.1 1.0 O C:ASP293 4.3 46.9 1.0 OD2 C:ASP293 4.6 64.0 1.0 CG2 C:THR318 4.6 39.2 1.0 CB C:VAL296 4.6 46.7 1.0 N C:ASP321 4.8 41.3 1.0 CG1 C:VAL296 4.8 46.3 1.0 CB C:ASP321 4.9 50.7 1.0 N C:ASN297 4.9 41.8 1.0 CA C:ASP293 5.0 49.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl801 b:71.3 occ:1.00 OG F:SER688 3.2 37.7 1.0 O F:GLY690 3.8 47.3 1.0 CB F:SER688 3.9 38.0 1.0 OD1 F:ASN722 4.0 41.6 1.0 NZ F:LYS693 4.1 41.8 1.0 O F:ALA657 4.2 51.8 1.0 N F:GLY690 4.3 41.5 1.0 CE2 F:TYR659 4.4 42.4 1.0 CA F:SER658 4.4 48.8 1.0 O F:GLY656 4.5 50.0 1.0 C F:GLY690 4.6 44.2 1.0 CA F:GLY690 4.6 42.5 1.0 C F:ALA657 4.6 50.1 1.0 CD2 F:TYR659 4.7 45.3 1.0 ND2 F:ASN722 4.7 39.0 1.0 CG F:ASN722 4.7 40.9 1.0 N F:SER658 4.7 44.2 1.0 OG F:SER658 4.8 48.5 1.0 C F:SER688 5.0 39.2 1.0

M.Plattner, M.M.Shneider, H.Oliveira, J.Azeredo, P.G.Leiman. Crystal Structure of the Acinetobacter Phage VB_APIP_P1 Tailspike Protein To Be Published.