Chlorine in PDB 4zxs: Hsv-1 Nuclear Egress Complex

The structure of Hsv-1 Nuclear Egress Complex, PDB code: 4zxs was solved by J.M.Bigalke, E.E.Heldwein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.86 / 2.77
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	110.529, 110.529, 155.850, 90.00, 90.00, 120.00
R / Rfree (%)	21.7 / 26.5

The structure of Hsv-1 Nuclear Egress Complex also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Zinc	(Zn)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Hsv-1 Nuclear Egress Complex (pdb code 4zxs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Hsv-1 Nuclear Egress Complex, PDB code: 4zxs:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Hsv-1 Nuclear Egress Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hsv-1 Nuclear Egress Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:92.1 occ:1.00 O A:HOH311 2.5 64.8 1.0 O A:HOH312 2.7 29.4 1.0 NI A:NI201 2.9 0.6 1.0 O A:HOH308 4.4 42.3 1.0 NE2 A:HIS57 4.5 69.0 1.0 NE2 A:HIS55 4.7 68.2 1.0 CE1 A:HIS57 4.9 83.5 1.0 CE1 A:HIS55 4.9 50.8 1.0

Chlorine binding site 2 out of 3 in the Hsv-1 Nuclear Egress Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hsv-1 Nuclear Egress Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:0.9 occ:1.00 NE A:ARG158 2.0 54.3 1.0 OD1 A:ASP61 2.7 41.4 1.0 CZ A:ARG158 2.9 79.8 1.0 CD A:ARG158 2.9 54.0 1.0 NH2 A:ARG158 3.0 83.2 1.0 O A:GLY59 3.4 75.6 1.0 O A:VAL157 3.4 47.9 1.0 C A:GLY59 3.7 69.4 1.0 CG A:ASP61 3.8 43.4 1.0 CG A:ARG158 3.8 50.1 1.0 O A:SER60 3.9 39.1 1.0 CA A:GLY59 4.0 57.7 1.0 OD2 A:ASP61 4.1 54.4 1.0 NH1 A:ARG158 4.1 81.3 1.0 C A:VAL157 4.1 39.5 1.0 N A:VAL157 4.1 45.1 1.0 C A:SER60 4.3 55.2 1.0 CB A:PHE156 4.4 42.1 1.0 N A:SER60 4.4 56.8 1.0 C A:PHE156 4.4 45.5 1.0 CA A:PHE156 4.5 42.3 1.0 CA A:VAL157 4.7 44.0 1.0 N A:GLY59 4.8 55.4 1.0 N A:ARG158 4.8 50.8 1.0 CA A:SER60 4.9 48.5 1.0 CD1 A:PHE156 4.9 54.2 1.0 CB A:ARG158 4.9 48.4 1.0 N A:ASP61 5.0 56.8 1.0

Chlorine binding site 3 out of 3 in the Hsv-1 Nuclear Egress Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hsv-1 Nuclear Egress Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:99.9 occ:1.00 O C:HOH313 2.7 67.1 1.0 NI C:NI201 2.8 74.4 1.0 O C:HOH302 3.9 60.8 1.0 CE1 C:HIS57 3.9 96.5 1.0 NE2 C:HIS57 4.0 89.0 1.0 NH1 C:ARG32 4.8 0.0 1.0

J.M.Bigalke, E.E.Heldwein. Structural Basis of Membrane Budding By the Nuclear Egress Complex of Herpesviruses. Embo J. V. 34 2921 2015.
ISSN: ESSN 1460-2075
PubMed: 26511020
DOI: 10.15252/EMBJ.201592359