Potassium in PDB 3kf0: Hiv Protease with Fragment 4D9 Bound

All present enzymatic activity of Hiv Protease with Fragment 4D9 Bound:
3.4.23.16;

The structure of Hiv Protease with Fragment 4D9 Bound, PDB code: 3kf0 was solved by C.D.Stout, A.L.Perryman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.53 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.518, 85.910, 46.440, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 24.6

The binding sites of Potassium atom in the Hiv Protease with Fragment 4D9 Bound (pdb code 3kf0). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Hiv Protease with Fragment 4D9 Bound, PDB code: 3kf0:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Hiv Protease with Fragment 4D9 Bound


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Hiv Protease with Fragment 4D9 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:K307 b:50.1 occ:1.00 O A:GLY94 3.0 23.2 1.0 OG1 A:THR96 3.0 22.1 1.0 O B:ASN98 3.2 23.0 1.0 C B:ASN98 3.9 24.2 1.0 CG2 A:THR96 3.9 23.0 1.0 CB A:THR96 4.0 21.8 1.0 N A:THR96 4.1 22.0 1.0 O B:HOH332 4.1 62.0 1.0 C A:GLY94 4.2 23.2 1.0 CA B:PHE99 4.3 26.6 1.0 OE1 B:GLN2 4.3 36.4 1.0 CB B:ASN98 4.4 24.5 1.0 N B:PHE99 4.4 24.9 1.0 CA A:THR96 4.7 21.4 1.0 C A:CYS95 4.7 22.4 1.0 CA B:ASN98 4.8 24.2 1.0 CA A:CYS95 4.8 23.4 1.0 N A:CYS95 5.0 22.8 1.0

Potassium binding site 2 out of 2 in the Hiv Protease with Fragment 4D9 Bound


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Hiv Protease with Fragment 4D9 Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:K306 b:41.5 occ:1.00 O B:GLY94 2.8 24.1 1.0 O A:ASN98 3.0 23.4 1.0 OG1 B:THR96 3.1 24.1 1.0 CG2 B:THR96 3.7 23.0 1.0 C A:ASN98 3.8 23.9 1.0 CB B:THR96 3.9 22.9 1.0 N B:THR96 3.9 23.1 1.0 C B:GLY94 4.1 23.7 1.0 CA A:PHE99 4.3 26.4 1.0 CB A:ASN98 4.3 22.4 1.0 N A:PHE99 4.4 25.1 1.0 C B:CYS95 4.4 23.5 1.0 CA B:THR96 4.5 22.5 1.0 NE2 A:GLN2 4.5 32.8 1.0 CA B:CYS95 4.6 23.3 1.0 CA A:ASN98 4.7 23.0 1.0 N B:CYS95 4.8 22.8 1.0 O B:HOH397 5.0 49.6 1.0

A.L.Perryman, Q.Zhang, H.H.Soutter, R.Rosenfeld, D.E.Mcree, A.J.Olson, J.E.Elder, C.David Stout. Fragment-Based Screen Against Hiv Protease. Chem.Biol.Drug Des. V. 75 257 2010.
ISSN: ISSN 1747-0277
PubMed: 20659109
DOI: 10.1111/J.1747-0285.2009.00943.X