Fluorine in PDB 1d4j: Hiv-1 Protease in Complex with the Inhibitor MSL370

All present enzymatic activity of Hiv-1 Protease in Complex with the Inhibitor MSL370:
3.4.23.16;

The structure of Hiv-1 Protease in Complex with the Inhibitor MSL370, PDB code: 1d4j was solved by T.Unge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.99 / 1.81
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.779, 86.523, 46.575, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.9

The structure of Hiv-1 Protease in Complex with the Inhibitor MSL370 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Hiv-1 Protease in Complex with the Inhibitor MSL370 (pdb code 1d4j). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Hiv-1 Protease in Complex with the Inhibitor MSL370, PDB code: 1d4j:

Fluorine binding site 1 out of 1 in the Hiv-1 Protease in Complex with the Inhibitor MSL370


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hiv-1 Protease in Complex with the Inhibitor MSL370 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:28.6 occ:1.00 F B:MSC501 0.0 28.6 1.0 C47 B:MSC501 1.3 27.9 1.0 C48 B:MSC501 2.4 28.8 1.0 C46 B:MSC501 2.4 27.4 1.0 C45 B:MSC501 2.9 25.4 1.0 O A:HOH318 3.0 31.5 1.0 O A:HOH301 3.2 18.5 1.0 O A:GLY48 3.3 23.0 1.0 O A:HOH364 3.4 35.8 1.0 C51 B:MSC501 3.7 28.8 1.0 C49 B:MSC501 3.7 28.7 1.0 N44 B:MSC501 3.8 23.1 1.0 OD2 A:ASP29 4.1 22.2 1.0 C38 B:MSC501 4.2 26.0 1.0 O A:HOH361 4.2 41.9 1.0 C39 B:MSC501 4.2 26.2 1.0 C50 B:MSC501 4.2 28.7 1.0 C A:GLY48 4.4 22.8 1.0 NH2 B:ARG108 4.4 27.2 1.0 N A:GLY48 4.4 21.4 1.0 CG A:ASP29 4.8 20.6 1.0 C37 B:MSC501 4.9 25.8 1.0 CB A:ILE47 4.9 21.9 1.0 C40 B:MSC501 5.0 25.9 1.0 CA A:GLY48 5.0 22.1 1.0

H.O.Andersson, K.Fridborg, S.Lowgren, M.Alterman, A.Muhlman, M.Bjorsne, N.Garg, I.Kvarnstrom, W.Schaal, B.Classon, U.H.Danielsson, G.Ahlsen, U.Nillroth, L.Vrang, B.Oberg, B.Samuelsson, A.Hallberg, T.Unge. Optimization of P1-P3 Groups in Symmetric and Asymmetric Hiv-1 Protease Inhibitors. Eur.J.Biochem. V. 270 1746 2003.
ISSN: ISSN 0014-2956
PubMed: 12694187
DOI: 10.1046/J.1432-1033.2003.03533.X