Arsenic in PDB 4e1n: Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor

The structure of Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor, PDB code: 4e1n was solved by E.B.Lansdon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.37 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.712, 71.712, 64.800, 90.00, 90.00, 120.00
R / Rfree (%)	24 / 26.5

The structure of Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Arsenic atom in the Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor (pdb code 4e1n). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor, PDB code: 4e1n:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:As65 b:47.9 occ:0.51 AS A:CAF65 0.0 47.9 0.5 O1 A:CAF65 2.0 57.0 0.7 CE1 A:CAF65 2.0 56.2 1.0 SG A:CAF65 2.2 56.9 1.0 CB A:CAF65 3.0 54.9 1.0 ND2 A:ASN120 3.3 55.4 1.0 O A:HOH407 3.5 53.6 1.0 N A:CAF65 3.5 53.2 1.0 CA A:CAF65 3.8 53.4 1.0 CG A:ASN120 3.9 58.2 1.0 CB A:ASN120 4.2 57.5 1.0 C A:ASP64 4.2 56.3 1.0 O A:HOH406 4.4 59.0 1.0 CD A:GLU92 4.4 71.2 1.0 OE2 A:GLU92 4.5 76.4 1.0 CG A:GLU92 4.6 68.7 1.0 OD1 A:ASN120 4.7 61.2 1.0 O A:HOH414 4.7 61.3 1.0 OE1 A:GLU92 4.7 69.7 1.0 CA A:ASP64 4.8 51.3 1.0 CG A:LEU74 4.8 57.6 1.0 OG1 A:THR97 4.8 55.1 1.0 CD2 A:LEU74 4.9 58.4 1.0 O A:ASP64 4.9 53.0 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:As130 b:66.8 occ:1.00 AS A:CAF130 0.0 66.8 1.0 CE1 A:CAF130 2.0 66.0 1.0 O1 A:CAF130 2.0 68.9 1.0 SG A:CAF130 2.2 51.5 1.0 CB A:CAF130 3.1 49.1 1.0 CB A:GLN137 4.0 72.3 1.0 OE1 A:GLN137 4.3 70.4 1.0 CG1 A:VAL126 4.4 49.8 1.0 CD1 A:PHE121 4.4 58.2 1.0 CA A:CAF130 4.5 45.9 1.0 CB A:PHE121 4.6 56.1 1.0 O A:VAL126 4.6 49.2 1.0 CG2 A:ILE135 4.6 52.3 1.0 O A:ILE135 4.7 52.8 1.0 CG A:PHE121 4.8 61.0 1.0 N A:GLN137 4.9 69.7 1.0 CA A:GLN137 4.9 71.1 1.0 O A:PHE121 5.0 58.5 1.0 CG A:GLN137 5.0 74.4 1.0

M.Tsiang, G.S.Jones, A.Niedziela-Majka, E.Kan, E.B.Lansdon, W.Huang, M.Hung, D.Samuel, N.Novikov, Y.Xu, M.Mitchell, H.Guo, K.Babaoglu, X.Liu, R.Geleziunas, R.Sakowicz. New Class of Hiv-1 Integrase (in) Inhibitors with A Dual Mode of Action. J.Biol.Chem. V. 287 21189 2012.
ISSN: ISSN 0021-9258
PubMed: 22535962
DOI: 10.1074/JBC.M112.347534