Manganese in PDB 5hbm: Crystal Structure of A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase

All present enzymatic activity of Crystal Structure of A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13;

The structure of Crystal Structure of A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase, PDB code: 5hbm was solved by K.A.Kirby, S.G.Sarafianos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.36 / 3.04
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.931, 69.472, 219.344, 90.00, 100.62, 90.00
R / Rfree (%)	22.9 / 27.4

The binding sites of Manganese atom in the Crystal Structure of A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase (pdb code 5hbm). 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 A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase, PDB code: 5hbm:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase


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 A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn603 b:75.5 occ:1.00 O1 A:F95602 2.0 81.5 1.0 OD1 A:ASP549 2.1 88.2 1.0 OD2 A:ASP443 2.2 70.2 1.0 O A:HOH702 2.2 72.6 1.0 O2 A:F95602 2.3 82.3 1.0 C3 A:F95602 2.8 84.7 1.0 C4 A:F95602 2.9 90.5 1.0 CG A:ASP443 3.1 64.8 1.0 CG A:ASP549 3.2 80.2 1.0 OD1 A:ASP443 3.3 62.8 1.0 MN A:MN604 3.5 64.9 1.0 OD2 A:ASP498 3.5 66.8 1.0 CB A:ASP549 3.6 76.7 1.0 NE2 A:HIS539 4.1 82.2 1.0 C2 A:F95602 4.1 85.0 1.0 CA A:ASP549 4.2 76.2 1.0 C5 A:F95602 4.3 90.1 1.0 OD2 A:ASP549 4.3 82.0 1.0 O A:GLY444 4.4 62.9 1.0 CB A:ASP443 4.5 58.7 1.0 CG A:ASP498 4.7 64.3 1.0 CE1 A:HIS539 4.7 84.7 1.0 O3 A:F95602 4.7 79.0 1.0 CD2 A:HIS539 4.8 78.1 1.0 O A:ASP549 4.9 82.8 1.0 OG A:SER553 4.9 90.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase


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 A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn604 b:64.9 occ:1.00 O1 A:F95602 2.1 81.5 1.0 OE2 A:GLU478 2.1 63.8 1.0 OD1 A:ASP498 2.1 64.7 1.0 OD1 A:ASP443 2.2 62.8 1.0 OD2 A:ASP498 2.2 66.8 1.0 CG A:ASP498 2.4 64.3 1.0 O3 A:F95602 2.5 79.0 1.0 C3 A:F95602 3.0 84.7 1.0 CD A:GLU478 3.1 62.2 1.0 C2 A:F95602 3.2 85.0 1.0 CG A:ASP443 3.2 64.8 1.0 OE1 A:GLU478 3.4 63.1 1.0 MN A:MN603 3.5 75.5 1.0 C7 A:F95602 3.6 79.8 1.0 OD2 A:ASP443 3.7 70.2 1.0 CB A:ASP498 3.9 59.0 1.0 O4 A:F95602 3.9 74.9 1.0 O A:GLY444 4.2 62.9 1.0 C4 A:F95602 4.3 90.5 1.0 O A:HOH702 4.4 72.6 1.0 CB A:ASP443 4.4 58.7 1.0 CG A:GLU478 4.5 59.4 1.0 N A:GLY444 4.5 60.5 1.0 C1 A:F95602 4.6 93.4 1.0 C A:ASP498 4.6 59.7 1.0 CA A:ASP443 4.7 55.2 1.0 CA A:ASP498 4.7 54.0 1.0 O2 A:F95602 4.8 82.3 1.0 N A:ASP498 4.9 52.6 1.0 N A:SER499 4.9 60.6 1.0 C8 A:F95602 4.9 97.2 1.0 O A:ASP498 4.9 62.1 1.0

K.A.Kirby, S.G.Sarafianos. Crystal Structure of A Dihydroxycoumarin Rnase H Active-Site Inhibitor in Complex with Hiv-1 Reverse Transcriptase To Be Published.