Zinc in PDB 4dwc: Crystal Structure of the Glycoprotein Erns From the Pestivirus Bvdv-1 in Complex with Zn Ions

The structure of Crystal Structure of the Glycoprotein Erns From the Pestivirus Bvdv-1 in Complex with Zn Ions, PDB code: 4dwc was solved by T.Krey, F.Bontems, C.Vonrhein, M.-C.Vaney, G.Bricogne, T.Ruemenapf, F.A.Rey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.66 / 2.89
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.597, 106.597, 213.007, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 22.7

The binding sites of Zinc atom in the Crystal Structure of the Glycoprotein Erns From the Pestivirus Bvdv-1 in Complex with Zn Ions (pdb code 4dwc). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Glycoprotein Erns From the Pestivirus Bvdv-1 in Complex with Zn Ions, PDB code: 4dwc:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Glycoprotein Erns From the Pestivirus Bvdv-1 in Complex with Zn Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Glycoprotein Erns From the Pestivirus Bvdv-1 in Complex with Zn Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1114 b:24.8 occ:0.20 O4 A:SO41118 2.0 74.9 1.0 NE2 A:HIS81 2.0 51.7 1.0 S A:SO41118 2.1 71.1 0.8 O2 A:SO41118 2.1 76.6 1.0 O3 A:SO41118 2.2 77.5 0.8 CD A:LYS80 2.4 59.2 0.8 NZ A:LYS80 2.6 73.7 0.2 CD A:LYS80 2.7 64.8 0.2 CE A:LYS80 2.8 52.7 0.8 CE1 A:HIS81 3.0 51.5 1.0 CD2 A:HIS81 3.1 51.2 1.0 CE A:LYS80 3.1 68.5 0.2 NZ A:LYS80 3.3 67.8 0.8 O1 A:SO41118 3.5 75.2 1.0 NE2 A:HIS76 3.5 40.9 1.0 CG A:LYS80 3.7 60.8 0.8 CG A:LYS80 3.9 58.3 0.2 ND1 A:HIS81 4.1 51.6 1.0 CG A:HIS81 4.2 48.9 1.0 CB A:LYS80 4.3 45.5 0.8 CB A:LYS80 4.3 44.7 0.2 CD2 A:HIS76 4.3 41.0 1.0 OE2 A:GLU77 4.3 51.0 1.0 NE1 A:TRP35 4.5 36.5 1.0 CE1 A:HIS76 4.5 40.8 1.0 OE1 A:GLU77 4.6 39.4 1.0 CE2 A:TRP35 4.8 37.3 1.0 CD A:GLU77 4.8 51.7 1.0 CZ2 A:TRP35 5.0 36.5 1.0 CD1 A:TRP35 5.0 37.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Glycoprotein Erns From the Pestivirus Bvdv-1 in Complex with Zn Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Glycoprotein Erns From the Pestivirus Bvdv-1 in Complex with Zn Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1115 b:0.4 occ:0.73 OE2 A:GLU37 2.0 63.4 1.0 CD A:GLU37 3.0 66.9 1.0 O A:HOH1209 3.4 55.7 1.0 OE1 A:GLU37 3.5 77.4 1.0 CG A:GLU37 4.1 42.5 1.0 NH2 B:ARG131 4.2 48.3 1.0

T.Krey, F.Bontems, C.Vonrhein, M.C.Vaney, G.Bricogne, T.Rumenapf, F.A.Rey. Crystal Structure of the Pestivirus Envelope Glycoprotein E(Rns) and Mechanistic Analysis of Its Ribonuclease Activity. Structure V. 20 862 2012.
ISSN: ISSN 0969-2126
PubMed: 22579253
DOI: 10.1016/J.STR.2012.03.018