Chlorine in PDB 5j2z: Prv UL37 N-Terminal Half (R2 Mutant)

The structure of Prv UL37 N-Terminal Half (R2 Mutant), PDB code: 5j2z was solved by E.E.Heldwein, J.D.Pitts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.72 / 2.50
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	51.281, 68.696, 156.226, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 23.7

The structure of Prv UL37 N-Terminal Half (R2 Mutant) also contains other interesting chemical elements:

Calcium	(Ca)	10 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Prv UL37 N-Terminal Half (R2 Mutant) (pdb code 5j2z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Prv UL37 N-Terminal Half (R2 Mutant), PDB code: 5j2z:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Prv UL37 N-Terminal Half (R2 Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Prv UL37 N-Terminal Half (R2 Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl515 b:79.0 occ:1.00 NE A:ARG178 2.7 49.8 1.0 O A:HOH608 3.2 28.5 1.0 OD1 A:ASP175 3.4 39.4 1.0 CD A:ARG178 3.5 32.5 1.0 OXT A:ACT518 3.6 40.9 1.0 C A:ACT518 3.6 29.9 1.0 CZ A:ARG178 3.6 79.7 1.0 CH3 A:ACT518 3.7 15.1 1.0 NH1 A:ARG178 3.7 87.9 1.0 O A:ASP175 3.8 30.6 1.0 CD1 A:TYR179 3.9 23.1 1.0 CG A:ASP175 3.9 37.9 1.0 CG A:ARG178 3.9 29.0 1.0 OD2 A:ASP175 3.9 43.2 1.0 CB A:TYR179 4.1 20.1 1.0 O A:ACT518 4.2 42.6 1.0 N A:TYR179 4.3 24.8 1.0 CA A:TYR179 4.3 25.5 1.0 CG A:TYR179 4.5 21.5 1.0 CB A:ARG178 4.7 19.6 1.0 OE1 A:GLN182 4.7 29.8 1.0 C A:ASP175 4.8 22.7 1.0 CE1 A:TYR179 4.9 24.9 1.0 NH2 A:ARG178 4.9 92.8 1.0 C A:ARG178 4.9 28.9 1.0 CA A:CA506 4.9 40.7 1.0

Chlorine binding site 2 out of 3 in the Prv UL37 N-Terminal Half (R2 Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Prv UL37 N-Terminal Half (R2 Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl516 b:64.1 occ:1.00 CA A:CA503 3.0 50.0 1.0 N A:LEU309 3.6 36.3 1.0 OD1 A:ASP310 3.7 46.9 1.0 N A:ASP310 3.7 31.5 1.0 CG A:ASP310 3.7 46.0 1.0 OD2 A:ASP310 3.9 42.5 1.0 OD1 A:ASP308 4.0 34.4 1.0 O A:ALA307 4.1 32.5 1.0 CB A:ASP310 4.2 36.1 1.0 C A:ASP308 4.2 33.9 1.0 CA A:LEU309 4.4 37.0 1.0 CA A:ASP308 4.4 27.0 1.0 CB A:LEU309 4.4 36.5 1.0 C A:LEU309 4.5 43.1 1.0 NH2 A:ARG356 4.5 37.6 1.0 CA A:ASP310 4.6 33.7 1.0 CL A:CL517 4.6 0.9 1.0 O A:HOH636 4.7 38.3 1.0 CA A:CA504 4.8 41.7 1.0 NE A:ARG356 4.9 39.6 1.0

Chlorine binding site 3 out of 3 in the Prv UL37 N-Terminal Half (R2 Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Prv UL37 N-Terminal Half (R2 Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl517 b:0.9 occ:1.00 CA A:CA503 3.4 50.0 1.0 OD1 A:ASP308 3.4 34.4 1.0 CG A:ASP308 4.0 33.0 1.0 CB A:ASP308 4.5 27.8 1.0 OD2 A:ASP308 4.6 41.8 1.0 CA A:ASP308 4.6 27.0 1.0 CL A:CL516 4.6 64.1 1.0

A.L.Richards, P.J.Sollars, J.D.Pitts, A.M.Stults, E.E.Heldwein, G.E.Pickard, G.A.Smith. The PUL37 Tegument Protein Guides Alpha-Herpesvirus Retrograde Axonal Transport to Promote Neuroinvasion. Plos Pathog. V. 13 06741 2017.
ISSN: ESSN 1553-7374
PubMed: 29216315
DOI: 10.1371/JOURNAL.PPAT.1006741