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Sodium in PDB 2ien: Crystal Structure Analysis of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017)

Enzymatic activity of Crystal Structure Analysis of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017)

All present enzymatic activity of Crystal Structure Analysis of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017):
3.4.23.16;

Protein crystallography data

The structure of Crystal Structure Analysis of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017), PDB code: 2ien was solved by Y.Tie, P.I.Boross, Y.F.Wang, L.Gaddis, D.Manna, A.K.Hussain, S.Leshchenko, A.K.Ghosh, J.M.Louis, R.W.Harrison, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 58.260, 85.910, 46.051, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 20.2

Other elements in 2ien:

The structure of Crystal Structure Analysis of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017) also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure Analysis of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017) (pdb code 2ien). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure Analysis of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017), PDB code: 2ien:

Sodium binding site 1 out of 1 in 2ien

Go back to Sodium Binding Sites List in 2ien
Sodium binding site 1 out of 1 in the Crystal Structure Analysis of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure Analysis of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na501

b:25.4
occ:1.00
 O A:HOH1201 2.3 23.7 1.0
O A:HOH1033 2.3 21.1 1.0
O A:ASP60 2.4 15.9 1.0
O A:HOH1145 2.4 31.9 1.0
O A:HOH1100 2.4 28.0 1.0
O A:HOH1098 2.8 30.2 1.0
C A:ASP60 3.4 15.5 1.0
NH1 A:ARG41 3.5 51.4 0.5
N A:ASP60 3.7 14.3 1.0
CA A:ASP60 4.0 15.3 1.0
O A:ARG41 4.1 20.2 1.0
CG A:ARG41 4.2 33.5 0.5
CB A:ASP60 4.3 17.4 1.0
N A:GLN61 4.4 15.1 1.0
CB A:GLN61 4.5 19.6 1.0
O A:HOH1218 4.5 33.9 0.5
N A:ARG41 4.5 25.8 1.0
O A:PRO39 4.6 21.7 1.0
C A:TYR59 4.6 11.9 1.0
CZ A:ARG41 4.7 45.9 0.5
O A:GLN61 4.7 19.0 1.0
CD A:ARG41 4.7 38.2 0.5
CD1 A:ILE62 4.7 16.4 1.0
OE1 A:GLN61 4.8 43.5 1.0
CA A:GLN61 4.8 16.1 1.0
C A:GLN61 4.8 15.6 1.0
CA A:GLY40 4.9 25.0 1.0

Reference:

Y.Tie, P.I.Boross, Y.F.Wang, L.Gaddis, A.K.Hussain, S.Leshchenko, A.K.Ghosh, J.M.Louis, R.W.Harrison, I.T.Weber. High Resolution Crystal Structures of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol. V. 338 341 2004.
ISSN: ISSN 0022-2836
PubMed: 15066436
DOI: 10.1016/J.JMB.2004.02.052
Page generated: Mon Oct 7 02:52:23 2024

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