Calcium in PDB 4k70: Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein

The structure of Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein, PDB code: 4k70 was solved by J.D.Pitts, E.E.Heldwein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.12 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.670, 156.589, 67.381, 90.00, 91.33, 90.00
R / Rfree (%)	17.3 / 22

The structure of Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Chlorine	(Cl)	5 atoms
Sodium	(Na)	21 atoms

The binding sites of Calcium atom in the Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein (pdb code 4k70). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein, PDB code: 4k70:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:22.7 occ:1.00 OD2 A:ASP383 2.3 23.9 1.0 OE1 B:GLU82 2.3 24.6 1.0 OD1 A:ASP382 2.4 26.9 1.0 OD2 B:ASP79 2.4 26.0 1.0 O A:ARG379 2.4 23.1 1.0 O A:HOH1289 2.4 26.6 1.0 CG A:ASP382 3.3 26.6 1.0 CG B:ASP79 3.4 24.3 1.0 CG A:ASP383 3.4 26.1 1.0 CD B:GLU82 3.4 30.1 1.0 OD2 A:ASP382 3.5 26.8 1.0 C A:ARG379 3.6 23.3 1.0 CG B:GLU82 3.9 30.0 1.0 OD1 A:ASP383 3.9 25.4 1.0 CB B:ASP79 3.9 24.7 1.0 CA B:CA1003 4.1 25.9 1.0 O B:HOH1262 4.2 31.1 1.0 O B:HOH1235 4.3 30.5 1.0 OD1 B:ASP79 4.4 22.4 1.0 CA A:ARG379 4.4 25.3 1.0 NA A:NA1004 4.4 38.7 1.0 OE2 B:GLU82 4.5 30.5 1.0 N A:LEU380 4.5 22.0 1.0 CB A:ASP383 4.6 20.9 1.0 CA A:LEU380 4.6 20.9 1.0 CB A:ASP382 4.7 20.2 1.0 N A:ASP383 4.8 22.3 1.0 C A:LEU380 4.8 22.4 1.0 O A:HOH1246 4.9 24.9 1.0 CB A:ARG379 4.9 22.3 1.0 O A:LEU380 5.0 23.6 1.0 N A:ASP382 5.0 20.4 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:27.4 occ:1.00 OD1 B:ASP382 2.2 30.3 1.0 O B:HOH1301 2.3 32.6 1.0 OD2 A:ASP81 2.5 28.4 1.0 OD1 B:ASP383 2.5 22.7 1.0 OD1 A:ASP79 2.5 25.5 1.0 OD2 A:ASP79 2.5 23.3 1.0 O B:HOH1236 2.6 33.0 1.0 CG A:ASP79 2.9 26.2 1.0 CG B:ASP383 3.3 24.1 1.0 CG A:ASP81 3.4 28.9 1.0 O B:HOH1290 3.4 40.1 1.0 CG B:ASP382 3.4 24.2 1.0 CB A:ASP81 3.6 25.4 1.0 OD2 B:ASP383 3.7 22.8 1.0 CA B:CA1002 4.0 21.8 1.0 O B:HOH1263 4.1 31.0 1.0 OD2 B:ASP382 4.2 26.8 1.0 NA B:NA1009 4.3 34.8 1.0 O B:HOH1269 4.4 32.1 1.0 CB B:ASP382 4.4 24.9 1.0 CB A:ASP79 4.4 24.9 1.0 NA A:NA1009 4.4 45.3 1.0 OD1 A:ASP81 4.5 29.6 1.0 CB B:ASP383 4.5 19.2 1.0 C B:ASP382 4.6 22.7 1.0 N B:ASP383 4.6 21.2 1.0 O B:ASP382 4.7 23.8 1.0 CA B:ASP383 4.7 18.5 1.0 CA A:ASP81 4.8 28.0 1.0 N A:ASP81 4.9 25.3 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1003 b:25.9 occ:1.00 OD2 A:ASP382 2.2 26.8 1.0 O A:HOH1377 2.4 34.0 1.0 OD2 B:ASP81 2.4 28.1 1.0 OD1 A:ASP383 2.4 25.4 1.0 OD2 B:ASP79 2.4 26.0 1.0 OD1 B:ASP79 2.5 22.4 1.0 O A:HOH1258 2.6 35.1 1.0 CG B:ASP79 2.8 24.3 1.0 CG B:ASP81 3.3 28.6 1.0 CG A:ASP383 3.4 26.1 1.0 CG A:ASP382 3.4 26.6 1.0 O B:HOH1402 3.6 44.1 1.0 CB B:ASP81 3.6 22.4 1.0 OD2 A:ASP383 3.7 23.9 1.0 O B:HOH1262 3.9 31.1 1.0 NA A:NA1006 4.0 40.5 1.0 OD1 A:ASP382 4.0 26.9 1.0 O A:HOH1288 4.1 34.0 1.0 CA A:CA1002 4.1 22.7 1.0 CB B:ASP79 4.3 24.7 1.0 OD1 B:ASP81 4.5 31.1 1.0 O A:HOH1257 4.5 29.4 1.0 CB A:ASP383 4.6 20.9 1.0 CB A:ASP382 4.6 20.2 1.0 CA A:ASP383 4.7 19.1 1.0 C A:ASP382 4.8 24.0 1.0 O A:ASP382 4.8 24.0 1.0 N A:ASP383 4.8 22.3 1.0 N B:ASP81 4.8 22.6 1.0 CA B:ASP81 4.9 25.8 1.0 O B:HOH1390 5.0 39.0 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1002 b:21.8 occ:1.00 OD2 A:ASP79 2.3 23.3 1.0 OE2 A:GLU82 2.3 24.0 1.0 OD2 B:ASP383 2.3 22.8 1.0 OD2 B:ASP382 2.3 26.8 1.0 O B:ARG379 2.4 23.9 1.0 O A:HOH1259 2.4 27.6 1.0 OD1 B:ASP382 2.9 30.3 1.0 CG B:ASP382 3.0 24.2 1.0 CD A:GLU82 3.4 30.2 1.0 CG A:ASP79 3.4 26.2 1.0 CG B:ASP383 3.4 24.1 1.0 C B:ARG379 3.6 25.3 1.0 CG A:GLU82 3.8 27.1 1.0 OD1 B:ASP383 3.9 22.7 1.0 CB A:ASP79 4.0 24.9 1.0 CA A:CA1003 4.0 27.4 1.0 OD1 A:ASP79 4.4 25.5 1.0 O B:HOH1223 4.4 27.8 1.0 O B:HOH1270 4.4 33.0 1.0 CA B:ARG379 4.4 26.3 1.0 OE1 A:GLU82 4.4 33.1 1.0 CB B:ASP382 4.4 24.9 1.0 N B:LEU380 4.5 24.6 1.0 CB B:ASP383 4.6 19.2 1.0 CA B:LEU380 4.6 22.6 1.0 N B:ASP383 4.7 21.2 1.0 C B:LEU380 4.8 21.8 1.0 N B:ASP382 4.9 20.4 1.0 O B:HOH1220 4.9 24.9 1.0 CB B:ARG379 4.9 22.4 1.0 O B:LEU380 4.9 23.0 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1004 b:50.0 occ:1.00 O B:HOH1323 2.2 35.9 1.0 O B:HOH1321 2.3 47.5 1.0 O B:HOH1322 2.4 44.1 1.0 OD2 B:ASP310 2.5 36.2 1.0 O B:HOH1320 2.7 43.5 1.0 CG B:ASP310 3.5 31.8 1.0 CB B:ASP310 4.0 29.2 1.0 O B:HOH1140 4.5 32.7 1.0 OD1 B:ASP310 4.5 37.4 1.0

Calcium binding site 6 out of 6 in the Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of N-Terminal Half of Pseudorabiesvirus UL37 Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1005 b:47.7 occ:1.00 O B:ASP355 2.3 33.4 1.0 O B:HOH1324 2.3 43.8 1.0 O B:HOH1351 2.5 42.0 1.0 O B:HOH1325 2.9 49.9 1.0 C B:ASP355 3.5 33.6 1.0 CA B:ASP355 4.3 30.7 1.0 N B:ARG356 4.4 30.0 1.0 CA B:ARG356 4.5 31.2 1.0 CB B:ASP355 4.6 29.3 1.0

J.D.Pitts, J.Klabis, A.L.Richards, G.A.Smith, E.E.Heldwein. Crystal Structure of the Herpesvirus Inner Tegument Protein UL37 Supports Its Essential Role in Control of Viral Trafficking. J.Virol. V. 88 5462 2014.
ISSN: ISSN 0022-538X
PubMed: 24599989
DOI: 10.1128/JVI.00163-14