Zinc in PDB 2vrs: Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form

The structure of Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form, PDB code: 2vrs was solved by P.Guardado-Calvo, G.C.Fox, A.L.Llamas-Saiz, J.Benavente, M.J.Van Raaij, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.43 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	142.789, 54.008, 121.336, 90.00, 101.79, 90.00
R / Rfree (%)	18 / 21.8

The structure of Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form (pdb code 2vrs). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form, PDB code: 2vrs:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in the Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1328 b:28.2 occ:1.00 NE2 C:HIS158 2.0 26.1 1.0 NE2 A:HIS158 2.0 30.3 1.0 NE2 B:HIS158 2.1 30.0 1.0 O A:HOH2350 2.3 11.4 1.0 CE1 B:HIS158 2.9 28.8 1.0 CE1 A:HIS158 3.0 40.7 1.0 CD2 C:HIS158 3.0 33.5 1.0 CE1 C:HIS158 3.0 34.9 1.0 CD2 A:HIS158 3.0 33.0 1.0 CD2 B:HIS158 3.1 30.3 1.0 ND1 B:HIS158 4.1 28.1 1.0 ND1 A:HIS158 4.1 32.8 1.0 ND1 C:HIS158 4.1 24.2 1.0 CG C:HIS158 4.2 34.2 1.0 CG A:HIS158 4.2 37.0 1.0 CG B:HIS158 4.2 31.2 1.0 O A:HOH2047 4.5 28.0 1.0 OG1 A:THR155 4.5 31.9 1.0 OG1 C:THR155 4.6 31.3 1.0 CG2 C:THR155 4.6 29.0 1.0 OG1 B:THR155 4.7 29.9 1.0 CB C:THR155 4.7 34.6 1.0 CG2 A:THR155 4.7 30.2 1.0 CB A:THR155 4.7 36.1 1.0 CB B:THR155 4.8 32.1 1.0 CG2 B:THR155 4.9 28.5 1.0 O A:LEU152 4.9 29.3 1.0 O C:LEU152 4.9 32.5 1.0 O B:LEU152 4.9 26.3 1.0

Zinc binding site 2 out of 7 in the Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1329 b:22.9 occ:1.00 O A:HOH2351 1.8 40.2 1.0 OD2 A:ASP144 2.0 20.6 1.0 CG A:ASP144 2.7 22.4 1.0 OD1 A:ASP144 2.7 22.7 1.0 O A:LEU140 4.1 20.1 1.0 CB A:ASP144 4.2 16.8 1.0 O A:HOH2023 4.2 16.9 1.0 CB A:LEU140 4.6 23.1 1.0 C A:LEU140 4.7 19.6 1.0 O A:HOH2024 4.9 47.4 1.0

Zinc binding site 3 out of 7 in the Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1330 b:33.3 occ:1.00 OD2 A:ASP134 2.0 20.2 1.0 OD1 A:ASP134 2.6 23.0 1.0 CG A:ASP134 2.6 25.1 1.0 O A:HOH2057 3.9 39.7 1.0 O A:HOH2015 4.0 26.8 1.0 CB A:ASP134 4.1 17.9 1.0 O A:ASN130 4.2 25.3 1.0 O A:HOH2017 4.8 43.3 1.0 C A:ASN130 4.9 26.7 1.0 CB A:ASN130 5.0 22.9 1.0

Zinc binding site 4 out of 7 in the Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1331 b:33.5 occ:1.00 OH A:TYR289 2.0 31.9 1.0 ND1 A:HIS287 2.1 26.9 1.0 O A:HOH2352 2.2 38.2 1.0 CZ A:TYR289 3.0 28.6 1.0 CG A:HIS287 3.0 24.7 1.0 CE1 A:HIS287 3.2 27.8 1.0 CB A:HIS287 3.2 20.8 1.0 CE1 A:TYR289 3.7 26.4 1.0 CA A:HIS287 3.8 21.1 1.0 CE2 A:TYR289 3.9 23.5 1.0 O A:HOH2307 4.0 37.5 1.0 CD2 A:HIS287 4.2 19.9 1.0 NE2 A:HIS287 4.2 24.5 1.0 N A:ALA288 4.5 18.4 1.0 O A:THR286 4.6 26.3 1.0 C A:HIS287 4.7 25.6 1.0 CA A:GLY308 4.7 22.4 1.0 CD1 A:TYR289 4.9 25.4 1.0 N A:HIS287 4.9 20.5 1.0

Zinc binding site 5 out of 7 in the Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1332 b:17.7 occ:0.50 OD1 A:ASP212 2.1 16.8 1.0 OD2 A:ASP212 2.1 17.6 1.0 CG A:ASP212 2.4 15.4 1.0 O A:ASN236 3.7 19.4 1.0 O A:HOH2239 3.8 30.0 1.0 O A:THR213 3.9 19.4 1.0 CB A:ASP212 4.0 19.3 1.0 OG1 A:THR238 4.5 24.5 1.0 N A:THR213 4.6 17.8 1.0 N A:THR238 4.8 18.5 1.0 OD1 A:ASN236 4.8 40.8 1.0 CA A:ASP212 4.8 17.6 1.0 O A:HOH2174 4.8 50.0 1.0 C A:ASN236 4.8 13.1 1.0 O A:HOH2240 4.8 33.1 0.5 ND2 A:ASN236 4.9 36.6 1.0

Zinc binding site 6 out of 7 in the Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1329 b:38.1 occ:0.50 OH B:TYR289 2.0 33.0 1.0 ND1 B:HIS287 2.1 43.3 1.0 O B:HOH2306 2.2 55.8 1.0 CZ B:TYR289 2.9 39.8 1.0 CE1 B:HIS287 3.0 41.5 1.0 CG B:HIS287 3.1 33.5 1.0 CB B:HIS287 3.4 27.5 1.0 CE1 B:TYR289 3.6 32.9 1.0 CE2 B:TYR289 3.7 28.9 1.0 CA B:HIS287 3.9 22.8 1.0 O B:HOH2263 4.2 52.6 1.0 NE2 B:HIS287 4.2 43.9 1.0 CD2 B:HIS287 4.2 39.2 1.0 CA B:GLY308 4.4 34.7 1.0 N B:ALA288 4.6 26.4 1.0 O B:THR286 4.7 33.6 1.0 CD1 B:TYR289 4.8 27.0 1.0 C B:HIS287 4.8 29.2 1.0 CD2 B:TYR289 4.8 27.5 1.0

Zinc binding site 7 out of 7 in the Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structure of Avian Reovirus SIGMAC117-326, C2 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1329 b:27.4 occ:0.50 OH C:TYR289 2.0 33.0 1.0 ND1 C:HIS287 2.1 37.9 1.0 CZ C:TYR289 2.9 31.3 1.0 CE1 C:HIS287 3.0 36.9 1.0 CG C:HIS287 3.0 31.0 1.0 CB C:HIS287 3.4 22.1 1.0 CE1 C:TYR289 3.7 34.0 1.0 CE2 C:TYR289 3.7 27.2 1.0 CA C:HIS287 4.1 25.0 1.0 O C:HOH2278 4.1 45.3 1.0 NE2 C:HIS287 4.1 33.0 1.0 CD2 C:HIS287 4.1 41.0 1.0 CA C:GLY308 4.4 34.9 1.0 N C:ALA288 4.8 23.1 1.0 C C:HIS287 4.9 26.1 1.0 CD1 C:TYR289 4.9 27.1 1.0 CD2 C:TYR289 5.0 23.7 1.0

P.Guardado-Calvo, G.C.Fox, A.L.Llamas-Saiz, M.J.Van Raaij. Crystallographic Structure of the Alpha-Helical Triple Coiled-Coil Domain of Avian Reovirus S1133 Fibre. J. Gen. Virol. V. 90 672 2009.
ISSN: ISSN 0022-1317
PubMed: 19218213
DOI: 10.1099/VIR.0.008276-0