Arsenic in PDB 6jcf: Cryogenic Structure of Hiv-1 Integrase Catalytic Core Domain By Synchrotron

The structure of Cryogenic Structure of Hiv-1 Integrase Catalytic Core Domain By Synchrotron, PDB code: 6jcf was solved by J.H.Park, J.Han, T.H.Kim, J.H.Yun, W.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.04 / 2.15
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.080, 72.080, 65.192, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 25

The binding sites of Arsenic atom in the Cryogenic Structure of Hiv-1 Integrase Catalytic Core Domain By Synchrotron (pdb code 6jcf). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Cryogenic Structure of Hiv-1 Integrase Catalytic Core Domain By Synchrotron, PDB code: 6jcf:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Cryogenic Structure of Hiv-1 Integrase Catalytic Core Domain By Synchrotron


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Cryogenic Structure of Hiv-1 Integrase Catalytic Core Domain By Synchrotron within 5.0Å range: probe atom residue distance (Å) B Occ A:As301 b:57.7 occ:1.00 AS A:CAC301 0.0 57.7 1.0 O2 A:CAC301 1.6 61.1 1.0 C2 A:CAC301 2.0 50.3 1.0 C1 A:CAC301 2.0 81.5 1.0 SG A:CYS65 2.1 59.6 1.0 CB A:CYS65 3.0 46.5 1.0 OD1 A:ASN120 3.2 0.6 1.0 N A:CYS65 3.5 31.8 1.0 CA A:CYS65 3.8 36.1 1.0 O A:HOH404 3.8 45.8 1.0 OE2 A:GLU92 3.9 77.6 1.0 CG A:ASN120 3.9 70.9 1.0 O A:HOH413 3.9 46.3 1.0 CG A:GLU92 4.1 65.3 1.0 C A:ASP64 4.1 43.7 1.0 CB A:ASN120 4.4 48.5 1.0 CD A:GLU92 4.4 75.2 1.0 OG1 A:THR97 4.6 38.8 1.0 ND2 A:ASN120 4.7 65.8 1.0 O A:ASP64 4.7 47.0 1.0 CA A:ASP64 4.8 41.7 1.0 CG A:LEU74 4.8 51.7 1.0

Arsenic binding site 2 out of 2 in the Cryogenic Structure of Hiv-1 Integrase Catalytic Core Domain By Synchrotron


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Cryogenic Structure of Hiv-1 Integrase Catalytic Core Domain By Synchrotron within 5.0Å range: probe atom residue distance (Å) B Occ A:As302 b:59.5 occ:1.00 AS A:CAC302 0.0 59.5 1.0 O2 A:CAC302 1.6 55.8 1.0 C1 A:CAC302 2.0 49.6 1.0 C2 A:CAC302 2.0 58.9 1.0 SG A:CYS130 2.1 41.3 1.0 CB A:CYS130 3.1 29.1 1.0 CA A:CYS130 4.5 30.0 1.0 CG2 A:ILE135 4.6 37.5 1.0 O A:ILE135 4.7 45.4 1.0 CG1 A:VAL126 4.7 38.5 1.0 CG A:PHE121 4.8 58.8 1.0 CD2 A:PHE121 4.8 70.5 1.0 C A:LYS136 4.9 51.8 1.0 CB A:ILE135 4.9 35.3 1.0 CD1 A:LEU101 4.9 46.7 1.0 O A:LYS136 5.0 45.1 1.0 N A:GLN137 5.0 56.8 1.0 O A:VAL126 5.0 33.8 1.0

J.H.Park, J.H.Yun, Y.Shi, J.Han, X.Li, Z.Jin, T.Kim, J.Park, S.Park, H.Liu, W.Lee. Non-Cryogenic Structure and Dynamics of Hiv-1 Integrase Catalytic Core Domain By X-Ray Free-Electron Lasers. Int J Mol Sci V. 20 2019.
ISSN: ESSN 1422-0067
PubMed: 31010024
DOI: 10.3390/IJMS20081943