Arsenic in PDB 1hyv: Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium

All present enzymatic activity of Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium:
2.7.7.49;

The structure of Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium, PDB code: 1hyv was solved by V.Molteni, J.Greenwald, D.Rhodes, Y.Hwang, W.Kwiatkowski, F.D.Bushman, J.S.Siegel, S.Choe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.010, 72.010, 65.600, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 26.3

The structure of Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Arsenic atom in the Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium (pdb code 1hyv). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium, PDB code: 1hyv:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in the Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium within 5.0Å range: probe atom residue distance (Å) B Occ A:As65 b:35.8 occ:1.00 AS A:CAF65 0.0 35.8 1.0 CE1 A:CAF65 1.8 31.3 1.0 O1 A:CAF65 1.9 35.5 1.0 SG A:CAF65 2.3 24.4 1.0 CB A:CAF65 3.1 23.6 1.0 OD1 A:ASN120 3.5 31.9 1.0 N A:CAF65 3.6 21.1 1.0 ND2 A:ASN120 3.6 24.6 1.0 CG A:ASN120 3.7 28.1 1.0 O A:HOH352 3.8 51.5 1.0 CA A:CAF65 3.8 19.5 1.0 O A:HOH307 3.9 24.7 1.0 OE1 A:GLU92 4.0 39.1 1.0 CG A:GLU92 4.1 36.7 1.0 C A:ASP64 4.1 25.0 1.0 OG1 A:THR97 4.5 24.0 1.0 CD A:GLU92 4.5 37.9 1.0 CB A:ASN120 4.7 30.1 1.0 O A:ASP64 4.7 25.2 1.0 CA A:ASP64 4.7 25.1 1.0 O A:HOH340 4.9 38.6 1.0 O A:HOH311 5.0 31.3 1.0

Arsenic binding site 2 out of 3 in the Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium within 5.0Å range: probe atom residue distance (Å) B Occ A:As130 b:43.1 occ:1.00 AS A:CAF130 0.0 43.1 1.0 O1 A:CAF130 1.7 29.7 1.0 CE1 A:CAF130 1.9 39.9 1.0 SG A:CAF130 2.3 22.6 1.0 CB A:CAF130 3.1 22.9 1.0 CG2 A:ILE135 4.0 23.6 1.0 O A:ILE135 4.0 22.4 1.0 N A:GLN137 4.1 31.0 1.0 C A:LYS136 4.1 29.7 1.0 O A:LYS136 4.4 26.2 1.0 CB A:GLN137 4.4 36.4 1.0 C A:ILE135 4.4 20.1 1.0 CA A:CAF130 4.4 21.6 1.0 CB A:ILE135 4.5 22.7 1.0 CA A:LYS136 4.5 28.5 1.0 CA A:GLN137 4.5 33.7 1.0 N A:LYS136 4.6 24.9 1.0 O A:HOH383 4.7 48.0 1.0 O A:HOH350 4.9 43.0 1.0 O A:HOH392 4.9 50.6 1.0

Arsenic binding site 3 out of 3 in the Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Hiv Integrase Core Domain Complexed with Tetraphenyl Arsonium within 5.0Å range: probe atom residue distance (Å) B Occ A:As304 b:79.4 occ:1.00 AS A:TTA304 0.0 79.4 1.0 C7 A:TTA304 1.9 80.5 1.0 C13 A:TTA304 1.9 79.5 1.0 C1 A:TTA304 1.9 79.3 1.0 C19 A:TTA304 1.9 80.4 1.0 C6 A:TTA304 2.8 79.1 1.0 C12 A:TTA304 2.8 80.9 1.0 C24 A:TTA304 2.8 80.2 1.0 C20 A:TTA304 2.9 81.0 1.0 C18 A:TTA304 2.9 79.2 1.0 C14 A:TTA304 2.9 79.0 1.0 C2 A:TTA304 2.9 78.5 1.0 C8 A:TTA304 3.0 81.0 1.0 O A:GLN168 3.6 39.4 1.0 C11 A:TTA304 4.1 81.3 1.0 C5 A:TTA304 4.1 79.2 1.0 C21 A:TTA304 4.2 81.0 1.0 C23 A:TTA304 4.2 80.8 1.0 C3 A:TTA304 4.2 78.9 1.0 C17 A:TTA304 4.2 79.1 1.0 C9 A:TTA304 4.2 81.3 1.0 C15 A:TTA304 4.3 78.9 1.0 C A:GLN168 4.5 41.4 1.0 C22 A:TTA304 4.6 80.8 1.0 C4 A:TTA304 4.7 78.8 1.0 C10 A:TTA304 4.7 81.4 1.0 O A:HOH402 4.7 46.6 1.0 C16 A:TTA304 4.7 79.0 1.0

V.Molteni, J.Greenwald, D.Rhodes, Y.Hwang, W.Kwiatkowski, F.D.Bushman, J.S.Siegel, S.Choe. Identification of A Small-Molecule Binding Site at the Dimer Interface of the Hiv Integrase Catalytic Domain. Acta Crystallogr.,Sect.D V. 57 536 2001.
ISSN: ISSN 0907-4449
PubMed: 11264582
DOI: 10.1107/S0907444901001652