Manganese in PDB 3qio: Crystal Structure of Hiv-1 Rnase H with Engineered E. Coli Loop and N- Hydroxy Quinazolinedione Inhibitor

All present enzymatic activity of Crystal Structure of Hiv-1 Rnase H with Engineered E. Coli Loop and N- Hydroxy Quinazolinedione Inhibitor:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13; 3.4.23.16;

The structure of Crystal Structure of Hiv-1 Rnase H with Engineered E. Coli Loop and N- Hydroxy Quinazolinedione Inhibitor, PDB code: 3qio was solved by E.B.Lansdon, Q.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.18 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.905, 56.352, 64.038, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.8

The binding sites of Manganese atom in the Crystal Structure of Hiv-1 Rnase H with Engineered E. Coli Loop and N- Hydroxy Quinazolinedione Inhibitor (pdb code 3qio). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Hiv-1 Rnase H with Engineered E. Coli Loop and N- Hydroxy Quinazolinedione Inhibitor, PDB code: 3qio:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Hiv-1 Rnase H with Engineered E. Coli Loop and N- Hydroxy Quinazolinedione Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Hiv-1 Rnase H with Engineered E. Coli Loop and N- Hydroxy Quinazolinedione Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:15.9 occ:1.00 OD2 A:ASP498 2.1 16.2 1.0 OE1 A:GLU478 2.1 18.1 1.0 O13 A:QID700 2.1 19.1 1.0 OD1 A:ASP443 2.2 14.8 1.0 O12 A:QID700 2.3 20.4 1.0 CG A:ASP498 2.8 16.1 1.0 N09 A:QID700 2.9 17.8 1.0 OD1 A:ASP498 2.9 17.0 1.0 C11 A:QID700 2.9 17.6 1.0 CD A:GLU478 3.0 16.0 1.0 OE2 A:GLU478 3.3 16.9 1.0 CG A:ASP443 3.3 12.9 1.0 OD2 A:ASP443 3.8 15.8 1.0 O A:HOH24 3.8 25.5 1.0 MN A:MN2 3.8 15.9 1.0 O A:HOH4 3.9 16.0 1.0 O A:HOH563 4.0 15.7 1.0 O A:GLY444 4.2 17.8 1.0 O A:HOH17 4.2 24.8 1.0 C07 A:QID700 4.2 17.1 1.0 CB A:ASP498 4.3 16.7 1.0 N08 A:QID700 4.3 22.2 1.0 CG A:GLU478 4.4 15.4 1.0 CB A:ASP443 4.5 15.2 1.0 N A:GLY444 4.5 13.8 1.0 O A:HOH562 4.7 16.5 1.0 CA A:ASP443 4.7 15.3 1.0 C A:ASP498 4.7 14.6 1.0 O10 A:QID700 4.8 16.8 1.0 O A:ASP498 4.9 17.1 1.0 CA A:ASP498 4.9 14.2 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Hiv-1 Rnase H with Engineered E. Coli Loop and N- Hydroxy Quinazolinedione Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Hiv-1 Rnase H with Engineered E. Coli Loop and N- Hydroxy Quinazolinedione Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn2 b:15.9 occ:1.00 O13 A:QID700 2.1 19.1 1.0 OD1 A:ASP549 2.1 16.7 1.0 OD2 A:ASP443 2.2 15.8 1.0 O A:HOH563 2.2 15.7 1.0 O A:HOH562 2.2 16.5 1.0 O10 A:QID700 2.3 16.8 1.0 N09 A:QID700 2.8 17.8 1.0 C07 A:QID700 2.9 17.1 1.0 CG A:ASP443 3.1 12.9 1.0 CG A:ASP549 3.2 16.7 1.0 OD1 A:ASP443 3.4 14.8 1.0 CB A:ASP549 3.6 17.0 1.0 MN A:MN1 3.8 15.9 1.0 NH1 A:ARG557 3.8 24.9 1.0 NE2 A:HIS539 4.1 19.6 1.0 O A:HOH15 4.2 26.6 1.0 CA A:ASP549 4.2 16.3 1.0 OD1 A:ASP498 4.2 17.0 1.0 O A:GLY444 4.2 17.8 1.0 OG A:SER553 4.2 23.6 0.5 C11 A:QID700 4.2 17.6 1.0 OD2 A:ASP549 4.3 19.4 1.0 C05 A:QID700 4.4 18.6 1.0 CB A:ASP443 4.5 15.2 1.0 O A:HOH8 4.6 19.3 1.0 O12 A:QID700 4.7 20.4 1.0 CE1 A:HIS539 4.8 18.9 1.0 CD2 A:HIS539 4.9 22.0 1.0 CG2 A:VAL552 4.9 16.4 1.0 O A:ASP549 5.0 17.4 1.0 CZ A:ARG557 5.0 23.4 1.0

E.B.Lansdon, Q.Liu, S.A.Leavitt, M.Balakrishnan, J.K.Perry, C.Lancaster-Moyer, N.Kutty, X.Liu, N.H.Squires, W.J.Watkins, T.A.Kirschberg. Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione Hiv-1 Rnase H Inhibitors. Antimicrob.Agents Chemother. V. 55 2905 2011.
ISSN: ISSN 0066-4804
PubMed: 21464257
DOI: 10.1128/AAC.01594-10