Arsenic in PDB 6l0c: Crystal Structure of Hiv-1 Integrase Catalytic Core Domain (A128T/K173Q/F185K)

The structure of Crystal Structure of Hiv-1 Integrase Catalytic Core Domain (A128T/K173Q/F185K), PDB code: 6l0c was solved by T.Nakamura, T.Nakamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.38 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.769, 72.769, 64.259, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 24

The binding sites of Arsenic atom in the Crystal Structure of Hiv-1 Integrase Catalytic Core Domain (A128T/K173Q/F185K) (pdb code 6l0c). 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 Catalytic Core Domain (A128T/K173Q/F185K), PDB code: 6l0c:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Hiv-1 Integrase Catalytic Core Domain (A128T/K173Q/F185K)


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 Catalytic Core Domain (A128T/K173Q/F185K) within 5.0Å range: probe atom residue distance (Å) B Occ A:As305 b:65.8 occ:1.00 SG A:CYS65 2.2 61.4 1.0 CB A:CYS65 2.9 63.7 1.0 ND2 A:ASN120 3.4 47.1 1.0 OD1 A:ASN120 3.5 59.8 1.0 CG A:ASN120 3.5 57.2 1.0 N A:CYS65 3.6 51.4 1.0 CA A:CYS65 3.8 51.8 1.0 O A:HOH417 4.1 53.6 1.0 CG A:GLU92 4.1 65.7 1.0 OE2 A:GLU92 4.1 84.7 1.0 CD1 A:LEU74 4.2 79.9 1.0 C A:ASP64 4.2 56.7 1.0 CB A:ASN120 4.5 55.5 1.0 OG1 A:THR97 4.6 49.8 1.0 CD A:GLU92 4.7 80.5 1.0 O A:ASP64 4.7 54.6 1.0 CA A:ASP64 4.8 50.7 1.0 O A:HOH403 5.0 53.4 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Hiv-1 Integrase Catalytic Core Domain (A128T/K173Q/F185K)


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 Catalytic Core Domain (A128T/K173Q/F185K) within 5.0Å range: probe atom residue distance (Å) B Occ A:As306 b:64.1 occ:1.00 SG A:CYS130 2.2 49.9 1.0 CB A:CYS130 3.1 44.6 1.0 CB A:GLN137 4.0 69.4 1.0 O A:ILE135 4.1 45.8 1.0 CG2 A:ILE135 4.1 48.1 1.0 N A:GLN137 4.3 63.2 1.0 C A:LYS136 4.3 60.7 1.0 O A:LYS136 4.5 57.1 1.0 CA A:CYS130 4.5 43.8 1.0 CA A:GLN137 4.6 78.7 1.0 C A:ILE135 4.6 52.6 1.0 CB A:ILE135 4.7 45.2 1.0 CA A:LYS136 4.8 62.4 1.0 CD2 A:PHE121 4.8 57.4 1.0 CG A:GLN137 4.9 74.5 1.0 N A:LYS136 5.0 61.1 1.0

T.Nakamura, T.Nakamura, M.Amano, T.Miyakawa, Y.Yamagata, M.Matsuoka, H.Nakata. A Conformational Escape Reaction of Hiv-1 Against An Allosteric Integrase Inhibitor. J.Virol. V. 94 2020.
ISSN: ESSN 1098-5514
PubMed: 32611758
DOI: 10.1128/JVI.00486-20