Zinc in PDB 3s3m: Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572)

The structure of Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572), PDB code: 3s3m was solved by S.Hare, P.Cherepanov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.15 / 2.49
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	160.140, 160.140, 123.430, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.2

The structure of Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572) also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Zinc atom in the Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572) (pdb code 3s3m). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572), PDB code: 3s3m:

Zinc binding site 1 out of 1 in the Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572)


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 Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn393 b:47.2 occ:1.00 NE2 A:HIS62 2.0 45.5 1.0 ND1 A:HIS66 2.0 41.8 1.0 SG A:CYS99 2.3 47.7 1.0 SG A:CYS96 2.6 55.1 1.0 CE1 A:HIS62 2.9 47.4 1.0 CE1 A:HIS66 3.0 43.6 1.0 CG A:HIS66 3.0 43.6 1.0 CD2 A:HIS62 3.1 46.9 1.0 CB A:CYS99 3.3 46.5 1.0 CB A:HIS66 3.3 43.4 1.0 CB A:CYS96 3.7 55.5 1.0 N A:CYS99 3.7 47.2 1.0 CA A:HIS66 3.9 44.1 1.0 CA A:CYS99 4.0 46.6 1.0 ND1 A:HIS62 4.0 46.9 1.0 NE2 A:HIS66 4.1 42.6 1.0 CD2 A:HIS66 4.1 43.4 1.0 CG A:HIS62 4.2 47.4 1.0 O A:HOH445 4.4 61.8 1.0 C A:HIS66 4.5 44.9 1.0 O A:HIS66 4.6 45.4 1.0 C A:GLN98 4.7 48.6 1.0 CB A:GLN98 4.7 49.5 1.0 OD1 A:ASN63 5.0 53.6 1.0 CA A:CYS96 5.0 55.9 1.0

S.Hare, S.J.Smith, M.Metifiot, A.Jaxa-Chamiec, Y.Pommier, S.H.Hughes, P.Cherepanov. Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol. V. 80 565 2011.
ISSN: ISSN 0026-895X
PubMed: 21719464
DOI: 10.1124/MOL.111.073189