Manganese in PDB 2ban: Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R157208

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R157208:
2.7.7.49;

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R157208, PDB code: 2ban was solved by K.Das, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.86 / 2.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	226.240, 69.430, 104.450, 90.00, 106.49, 90.00
R / Rfree (%)	24.3 / 30.5

The binding sites of Manganese atom in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R157208 (pdb code 2ban). 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 Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R157208, PDB code: 2ban:

Manganese binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R157208


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 Reverse Transcriptase (Rt) in Complex with Janssen-R157208 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn561 b:85.6 occ:1.00 OD1 A:ASP443 2.0 96.0 1.0 OD2 A:ASP498 2.2 83.8 1.0 OE2 A:GLU478 2.4 0.4 1.0 O A:HOH1001 2.5 71.6 1.0 CG A:ASP443 2.9 94.9 1.0 O A:GLY444 3.0 97.9 1.0 CG A:ASP498 3.1 85.0 1.0 OD2 A:ASP443 3.1 97.3 1.0 OD1 A:ASP498 3.3 85.7 1.0 CD A:GLU478 3.6 97.0 1.0 N A:GLY444 3.9 93.1 1.0 C A:GLY444 4.1 98.9 1.0 CB A:ASP443 4.3 91.2 1.0 OE1 A:GLU478 4.3 96.7 1.0 CB A:ASP498 4.5 82.8 1.0 CA A:GLY444 4.6 97.4 1.0 CG A:GLU478 4.7 91.3 1.0 CA A:ASP443 4.7 87.2 1.0 C A:ASP443 4.9 88.4 1.0

D.M.Himmel, K.Das, A.D.Clark Jr., S.H.Hughes, A.Benjahad, S.Oumouch, J.Guillemont, S.Coupa, A.Poncelet, I.Csoka, C.Meyer, K.Andries, C.H.Nguyen, D.S.Grierson, E.Arnold. Crystal Structures For Hiv-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective Against A Broad Range of Drug-Resistant Strains. J.Med.Chem. V. 48 7582 2005.
ISSN: ISSN 0022-2623
PubMed: 16302798
DOI: 10.1021/JM0500323