Zinc in PDB 4gua: Alphavirus P23PRO-Zbd

All present enzymatic activity of Alphavirus P23PRO-Zbd:
3.1.3.33; 3.6.1.15; 3.6.4.13;

The structure of Alphavirus P23PRO-Zbd, PDB code: 4gua was solved by G.Shin, S.Yost, M.Miller, J.Marcotrigiano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.18 / 2.85
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.180, 147.180, 360.440, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 21.7

The binding sites of Zinc atom in the Alphavirus P23PRO-Zbd (pdb code 4gua). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Alphavirus P23PRO-Zbd, PDB code: 4gua:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Alphavirus P23PRO-Zbd


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Alphavirus P23PRO-Zbd within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1719 b:91.2 occ:1.00 SG A:CYS1635 2.3 95.3 1.0 SG A:CYS1653 2.3 62.3 1.0 SG A:CYS1610 2.4 72.5 1.0 SG A:CYS1612 2.5 77.4 1.0 CB A:CYS1653 3.0 62.7 1.0 CB A:CYS1635 3.1 81.4 1.0 CB A:CYS1610 3.3 78.3 1.0 CB A:CYS1612 3.5 67.4 1.0 CA A:CYS1653 3.7 69.2 1.0 CB A:SER1637 4.1 69.8 1.0 OG A:SER1637 4.2 72.6 1.0 N A:CYS1612 4.4 65.0 1.0 CA A:CYS1612 4.4 66.8 1.0 CA A:CYS1635 4.5 81.2 1.0 N A:ALA1615 4.6 70.6 1.0 O A:LYS1655 4.6 83.2 1.0 N A:SER1637 4.7 85.9 1.0 C A:CYS1653 4.7 77.4 1.0 CA A:CYS1610 4.8 79.1 1.0 N A:CYS1653 4.8 80.2 1.0 CA A:ALA1615 4.8 69.4 1.0 C A:CYS1612 4.9 74.2 1.0 C A:TYR1614 4.9 78.5 1.0 CA A:SER1637 5.0 76.7 1.0 N A:THR1654 5.0 80.2 1.0 CB A:TYR1614 5.0 82.1 1.0 C A:CYS1635 5.0 82.7 1.0 N A:SER1636 5.0 78.6 1.0

Zinc binding site 2 out of 3 in the Alphavirus P23PRO-Zbd


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Alphavirus P23PRO-Zbd within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1708 b:96.8 occ:1.00 SG B:CYS1653 2.3 85.0 1.0 SG B:CYS1635 2.3 90.9 1.0 SG B:CYS1610 2.4 77.0 1.0 SG B:CYS1612 2.6 75.2 1.0 CB B:CYS1653 3.0 83.0 1.0 CB B:CYS1635 3.1 87.2 1.0 CB B:CYS1610 3.2 71.8 1.0 CB B:CYS1612 3.6 75.8 1.0 CA B:CYS1653 3.8 88.3 1.0 CB B:SER1637 4.0 68.7 1.0 OG B:SER1637 4.1 71.1 1.0 N B:CYS1612 4.4 74.2 1.0 O B:LYS1655 4.5 66.4 1.0 CA B:CYS1612 4.5 75.3 1.0 N B:SER1637 4.5 80.2 1.0 CA B:CYS1635 4.5 84.6 1.0 N B:ALA1615 4.6 69.0 1.0 CA B:CYS1610 4.7 71.0 1.0 C B:CYS1653 4.8 83.4 1.0 CA B:ALA1615 4.8 69.1 1.0 CA B:SER1637 4.9 72.2 1.0 N B:CYS1653 4.9 95.9 1.0 N B:SER1636 4.9 82.2 1.0 C B:CYS1635 4.9 83.9 1.0 C B:TYR1614 4.9 82.4 1.0 C B:CYS1612 5.0 75.9 1.0 N B:THR1654 5.0 78.2 1.0 CB B:TYR1614 5.0 89.4 1.0

Zinc binding site 3 out of 3 in the Alphavirus P23PRO-Zbd


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Alphavirus P23PRO-Zbd within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1722 b:70.8 occ:1.00 SG C:CYS1635 2.2 67.5 1.0 SG C:CYS1610 2.3 47.3 1.0 SG C:CYS1612 2.4 58.0 1.0 SG C:CYS1653 2.5 54.3 1.0 CB C:CYS1653 3.2 51.6 1.0 CB C:CYS1635 3.3 52.0 1.0 CB C:CYS1610 3.4 51.7 1.0 CB C:CYS1612 3.4 52.6 1.0 CA C:CYS1653 3.8 58.6 1.0 CB C:SER1637 4.0 47.1 1.0 OG C:SER1637 4.1 52.1 1.0 N C:CYS1612 4.2 53.9 1.0 CA C:CYS1612 4.3 52.3 1.0 N C:ALA1615 4.6 51.7 1.0 O C:LYS1655 4.6 73.3 1.0 CA C:CYS1635 4.7 56.8 1.0 N C:SER1637 4.7 56.4 1.0 CA C:ALA1615 4.7 49.6 1.0 C C:CYS1653 4.8 60.7 1.0 CA C:CYS1610 4.8 53.0 1.0 C C:CYS1612 4.8 59.8 1.0 C C:TYR1614 4.8 54.5 1.0 N C:CYS1653 4.9 56.9 1.0 O C:CYS1612 4.9 58.8 1.0 CB C:TYR1614 4.9 63.1 1.0 N C:THR1654 4.9 61.7 1.0 CA C:SER1637 5.0 46.5 1.0

G.Shin, S.A.Yost, M.T.Miller, E.J.Elrod, A.Grakoui, J.Marcotrigiano. Structural and Functional Insights Into Alphavirus Polyprotein Processing and Pathogenesis. Proc.Natl.Acad.Sci.Usa V. 109 16534 2012.
ISSN: ISSN 0027-8424
PubMed: 23010928
DOI: 10.1073/PNAS.1210418109