Manganese in PDB 1a5v: Asv Integrase Core Domain with Hiv-1 Integrase Inhibitor Y3 and Mn Cation

All present enzymatic activity of Asv Integrase Core Domain with Hiv-1 Integrase Inhibitor Y3 and Mn Cation:
2.7.7.49;

The structure of Asv Integrase Core Domain with Hiv-1 Integrase Inhibitor Y3 and Mn Cation, PDB code: 1a5v was solved by J.Lubkowski, F.Yang, J.Alexandratos, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.444, 66.444, 81.065, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 21

The binding sites of Manganese atom in the Asv Integrase Core Domain with Hiv-1 Integrase Inhibitor Y3 and Mn Cation (pdb code 1a5v). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Asv Integrase Core Domain with Hiv-1 Integrase Inhibitor Y3 and Mn Cation, PDB code: 1a5v:

Manganese binding site 1 out of 1 in the Asv Integrase Core Domain with Hiv-1 Integrase Inhibitor Y3 and Mn Cation


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Asv Integrase Core Domain with Hiv-1 Integrase Inhibitor Y3 and Mn Cation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn2 b:27.9 occ:1.00 O A:HOH210 2.1 31.2 1.0 O A:HOH212 2.2 26.7 1.0 O A:HOH211 2.2 29.1 1.0 OD1 A:ASP64 2.2 15.6 1.0 OD2 A:ASP121 2.2 20.4 1.0 O A:HOH213 2.5 35.5 1.0 CG A:ASP64 3.2 18.9 1.0 CG A:ASP121 3.2 20.0 1.0 OD1 A:ASP121 3.5 20.0 1.0 OD2 A:ASP64 3.5 21.8 1.0 O A:HOH358 3.9 95.3 1.0 O A:HOH287 4.0 18.3 1.0 O A:PHE65 4.2 13.9 1.0 N A:PHE65 4.4 14.5 1.0 O A:HOH274 4.5 39.2 1.0 CB A:ASP64 4.5 15.7 1.0 CB A:ASP121 4.5 21.7 1.0 O A:HOH309 4.7 46.5 1.0 CA A:ASP64 4.9 15.7 1.0 O A:HOH288 4.9 48.9 1.0

J.Lubkowski, F.Yang, J.Alexandratos, A.Wlodawer, H.Zhao, T.R.Burke Jr., N.Neamati, Y.Pommier, G.Merkel, A.M.Skalka. Structure of the Catalytic Domain of Avian Sarcoma Virus Integrase with A Bound Hiv-1 Integrase-Targeted Inhibitor. Proc.Natl.Acad.Sci.Usa V. 95 4831 1998.
ISSN: ISSN 0027-8424
PubMed: 9560188
DOI: 10.1073/PNAS.95.9.4831