Chlorine in PDB 5bu5: HK620 Tail Needle Crystallized at pH 9 (Crystal Form I)

The structure of HK620 Tail Needle Crystallized at pH 9 (Crystal Form I), PDB code: 5bu5 was solved by A.Bhardwaj, G.Cingolani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.95 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	53.032, 73.265, 77.355, 96.64, 89.77, 111.16
R / Rfree (%)	20.1 / 22.3

The structure of HK620 Tail Needle Crystallized at pH 9 (Crystal Form I) also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the HK620 Tail Needle Crystallized at pH 9 (Crystal Form I) (pdb code 5bu5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the HK620 Tail Needle Crystallized at pH 9 (Crystal Form I), PDB code: 5bu5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the HK620 Tail Needle Crystallized at pH 9 (Crystal Form I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HK620 Tail Needle Crystallized at pH 9 (Crystal Form I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:38.7 occ:1.00 ND2 A:ASN80 3.0 21.8 1.0 ND2 B:ASN80 3.1 26.3 1.0 ND2 C:ASN80 3.2 22.6 1.0 CB A:ASN80 3.7 24.4 1.0 CG A:ASN80 3.8 21.8 1.0 CB C:ASN80 3.8 22.1 1.0 CB B:ASN80 3.9 24.9 1.0 CG B:ASN80 4.0 25.9 1.0 CG C:ASN80 4.0 25.0 1.0 CA A:ILE77 4.2 21.6 1.0 CA B:ILE77 4.2 26.1 1.0 CG1 A:ILE77 4.2 29.4 1.0 CG1 B:ILE77 4.2 34.9 1.0 CG2 B:ILE77 4.3 26.5 1.0 CA C:ILE77 4.3 21.2 1.0 CG1 C:ILE77 4.4 24.8 1.0 CG2 A:ILE77 4.4 23.9 1.0 CG2 C:ILE77 4.5 23.6 1.0 CB B:ILE77 4.5 29.3 1.0 CB A:ILE77 4.5 31.0 1.0 CB C:ILE77 4.6 28.5 1.0 O A:ILE77 4.6 23.8 1.0 O B:ILE77 4.6 24.2 1.0 O C:ILE77 4.7 21.9 1.0 C A:ILE77 4.9 25.1 1.0 C B:ILE77 5.0 27.3 1.0 OD1 A:ASN80 5.0 21.0 1.0

Chlorine binding site 2 out of 2 in the HK620 Tail Needle Crystallized at pH 9 (Crystal Form I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of HK620 Tail Needle Crystallized at pH 9 (Crystal Form I) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:34.2 occ:1.00 ND2 D:ASN80 2.9 19.4 1.0 ND2 E:ASN80 3.2 27.8 1.0 ND2 F:ASN80 3.2 19.9 1.0 CB D:ASN80 3.7 17.4 1.0 CG D:ASN80 3.8 19.2 1.0 CB E:ASN80 3.9 21.9 1.0 CB F:ASN80 3.9 20.2 1.0 CG E:ASN80 4.0 22.7 1.0 CG F:ASN80 4.0 26.5 1.0 CA D:ILE77 4.2 23.4 1.0 CG1 D:ILE77 4.2 29.8 1.0 CA E:ILE77 4.2 27.9 1.0 CG1 E:ILE77 4.2 40.8 1.0 CG2 E:ILE77 4.3 27.8 1.0 CA F:ILE77 4.3 24.3 1.0 CG1 F:ILE77 4.3 21.4 1.0 CG2 D:ILE77 4.4 25.6 1.0 CB E:ILE77 4.5 32.8 1.0 CG2 F:ILE77 4.5 21.9 1.0 CB D:ILE77 4.5 29.0 1.0 O E:ILE77 4.6 24.5 1.0 CB F:ILE77 4.6 21.9 1.0 O D:ILE77 4.6 22.6 1.0 O F:ILE77 4.7 25.6 1.0 C D:ILE77 4.9 22.3 1.0 C E:ILE77 4.9 27.0 1.0 OD1 D:ASN80 5.0 19.4 1.0

A.Bhardwaj, R.S.Sankhala, A.S.Olia, D.Brooke, S.R.Casjens, D.J.Taylor, P.E.Prevelige, G.Cingolani. Structural Plasticity of the Protein Plug That Traps Newly Packaged Genomes in Podoviridae Virions. J.Biol.Chem. V. 291 215 2016.
ISSN: ESSN 1083-351X
PubMed: 26574546
DOI: 10.1074/JBC.M115.696260