Manganese in PDB 3lp1: Hiv-1 Reverse Transcriptase with Inhibitor

All present enzymatic activity of Hiv-1 Reverse Transcriptase with Inhibitor:
2.7.7.49; 2.7.7.7; 3.1.26.4;

The structure of Hiv-1 Reverse Transcriptase with Inhibitor, PDB code: 3lp1 was solved by Y.Yan, S.K.Munshi, G.S.Prasad, H.P.Su, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.23
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	118.784, 155.264, 155.244, 90.00, 90.00, 90.00
R / Rfree (%)	26.8 / 29.2

The binding sites of Manganese atom in the Hiv-1 Reverse Transcriptase with Inhibitor (pdb code 3lp1). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Hiv-1 Reverse Transcriptase with Inhibitor, PDB code: 3lp1:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Hiv-1 Reverse Transcriptase with Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Hiv-1 Reverse Transcriptase with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn602 b:44.9 occ:1.00 OD1 A:ASP443 2.0 38.2 1.0 OD1 A:ASP549 2.2 50.0 1.0 O A:LP8601 2.3 45.0 1.0 O3 A:LP8601 2.4 44.8 1.0 CG A:ASP443 3.0 38.4 1.0 N A:LP8601 3.1 45.0 1.0 C A:LP8601 3.1 44.9 1.0 OD2 A:ASP443 3.2 38.8 1.0 CG A:ASP549 3.3 49.6 1.0 MN A:MN603 3.7 37.5 1.0 CB A:ASP549 3.8 49.3 1.0 O A:GLY444 4.0 38.2 1.0 OD2 A:ASP498 4.1 34.0 1.0 CE1 A:HIS539 4.2 49.4 1.0 CA A:ASP549 4.2 49.3 1.0 C4 A:LP8601 4.3 45.0 1.0 CB A:ASP443 4.3 38.2 1.0 OD2 A:ASP549 4.4 49.8 1.0 C2 A:LP8601 4.5 45.0 1.0 OG A:SER553 4.6 48.5 1.0 ND1 A:HIS539 4.8 49.1 1.0 N9 A:LP8601 4.8 45.0 1.0 NE2 A:HIS539 4.8 49.5 1.0 CG A:ASP498 5.0 33.8 1.0 CG2 A:VAL552 5.0 47.7 1.0

Manganese binding site 2 out of 2 in the Hiv-1 Reverse Transcriptase with Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Hiv-1 Reverse Transcriptase with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn603 b:37.5 occ:1.00 OD2 A:ASP443 2.0 38.8 1.0 O A:LP8601 2.0 45.0 1.0 OE2 A:GLU478 2.1 32.2 1.0 OD1 A:ASP498 2.1 33.8 1.0 N9 A:LP8601 2.4 45.0 1.0 CG A:ASP498 2.9 33.8 1.0 CD A:GLU478 3.0 32.5 1.0 N A:LP8601 3.0 45.0 1.0 OD2 A:ASP498 3.1 34.0 1.0 C4 A:LP8601 3.1 45.0 1.0 CG A:ASP443 3.2 38.4 1.0 OE1 A:GLU478 3.2 32.4 1.0 C8 A:LP8601 3.5 44.9 1.0 MN A:MN602 3.7 44.9 1.0 OD1 A:ASP443 3.7 38.2 1.0 O A:HOH588 4.0 31.5 1.0 O A:GLY444 4.1 38.2 1.0 C A:LP8601 4.3 44.9 1.0 CB A:ASP498 4.3 33.3 1.0 N A:GLY444 4.3 38.2 1.0 CB A:ASP443 4.4 38.2 1.0 CG A:GLU478 4.4 32.4 1.0 C5 A:LP8601 4.5 45.0 1.0 CA A:ASP443 4.5 38.3 1.0 C A:ASP498 4.7 33.0 1.0 O3 A:LP8601 4.7 44.8 1.0 C7 A:LP8601 4.7 44.9 1.0 O A:ASP498 4.8 32.9 1.0 CA A:ASP498 4.9 33.3 1.0 N A:SER499 5.0 32.9 1.0

H.P.Su, Y.Yan, G.S.Prasad, R.F.Smith, C.L.Daniels, P.D.Abeywickrema, J.C.Reid, H.M.Loughran, M.Kornienko, S.Sharma, J.A.Grobler, B.Xu, V.Sardana, T.J.Allison, P.D.Williams, P.L.Darke, D.J.Hazuda, S.Munshi. Structural Basis For the Inhibition of Rnase H Activity of Hiv-1 Reverse Transcriptase By Rnase H Active Site-Directed Inhibitors. J.Virol. V. 84 7625 2010.
ISSN: ISSN 0022-538X
PubMed: 20484498
DOI: 10.1128/JVI.00353-10