Manganese in PDB 3lp0: 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: 3lp0 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 / 2.79
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	118.299, 154.184, 153.168, 90.00, 90.00, 90.00
R / Rfree (%)	24.8 / 31

The binding sites of Manganese atom in the Hiv-1 Reverse Transcriptase with Inhibitor (pdb code 3lp0). 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: 3lp0:
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:77.8 occ:1.00 O9 A:LP7601 1.9 86.2 1.0 OD1 A:ASP549 2.0 87.1 1.0 OD1 A:ASP443 2.1 71.1 1.0 CG A:ASP549 3.1 87.1 1.0 CG A:ASP443 3.1 71.5 1.0 N5 A:LP7601 3.1 86.3 1.0 OD2 A:ASP443 3.3 71.4 1.0 O10 A:LP7601 3.3 86.2 1.0 MN A:MN603 3.6 66.7 1.0 C6 A:LP7601 3.6 86.3 1.0 CB A:ASP549 3.7 87.5 1.0 O A:GLY444 3.8 74.2 1.0 OD2 A:ASP549 4.0 86.2 1.0 OD2 A:ASP498 4.1 65.0 1.0 C4 A:LP7601 4.2 86.3 1.0 CA A:ASP549 4.2 87.6 1.0 N A:LP7601 4.3 86.3 1.0 NE2 A:HIS539 4.3 82.8 1.0 CB A:ASP443 4.5 71.5 1.0 CE1 A:HIS539 4.7 82.6 1.0 CG2 A:VAL552 4.8 87.5 1.0 OG A:SER553 4.8 88.0 1.0 O A:ASP549 4.9 87.6 1.0 C A:GLY444 5.0 74.0 1.0 C A:ASP549 5.0 87.7 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:66.7 occ:1.00 OD2 A:ASP443 2.0 71.4 1.0 OE2 A:GLU478 2.2 67.7 1.0 N A:LP7601 2.3 86.3 1.0 OD2 A:ASP498 2.5 65.0 1.0 OD1 A:ASP498 2.8 65.8 1.0 O9 A:LP7601 2.9 86.2 1.0 CG A:ASP498 3.0 65.3 1.0 CD A:GLU478 3.0 67.8 1.0 C1 A:LP7601 3.1 86.3 1.0 CG A:ASP443 3.2 71.5 1.0 OE1 A:GLU478 3.2 67.4 1.0 C4 A:LP7601 3.4 86.3 1.0 N5 A:LP7601 3.6 86.3 1.0 OD1 A:ASP443 3.6 71.1 1.0 MN A:MN602 3.6 77.8 1.0 O A:GLY444 3.9 74.2 1.0 N A:GLY444 4.1 72.7 1.0 CB A:ASP443 4.4 71.5 1.0 CB A:ASP498 4.4 65.3 1.0 C A:LP7601 4.4 86.3 1.0 CG A:GLU478 4.5 68.1 1.0 CA A:ASP443 4.6 71.7 1.0 C3 A:LP7601 4.7 86.2 1.0 C A:GLY444 4.8 74.0 1.0 O A:ASP498 4.8 65.4 1.0 C A:ASP498 4.8 65.5 1.0 C A:ASP443 4.9 72.1 1.0 C6 A:LP7601 4.9 86.3 1.0 CA A:GLY444 5.0 73.4 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