Arsenic in PDB 6jcg: Room Temperature Structure of Hiv-1 Integrase Catalytic Core Domain By Serial Femtosecond Crystallography.

The structure of Room Temperature Structure of Hiv-1 Integrase Catalytic Core Domain By Serial Femtosecond Crystallography., PDB code: 6jcg was solved by J.H.Park, Y.Shi, J.Han, X.Li, T.H.Kim, J.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.67 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.275, 73.275, 66.710, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 21.2

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

Arsenic binding site 1 out of 2 in the Room Temperature Structure of Hiv-1 Integrase Catalytic Core Domain By Serial Femtosecond Crystallography.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Room Temperature Structure of Hiv-1 Integrase Catalytic Core Domain By Serial Femtosecond Crystallography. within 5.0Å range: probe atom residue distance (Å) B Occ A:As301 b:58.0 occ:1.00 AS A:CAC301 0.0 58.0 1.0 O2 A:CAC301 1.6 57.1 1.0 C1 A:CAC301 2.0 92.9 1.0 C2 A:CAC301 2.0 55.5 1.0 SG A:CYS65 2.1 58.7 1.0 CB A:CYS65 2.8 45.0 1.0 N A:CYS65 3.5 52.1 1.0 CA A:CYS65 3.7 51.8 1.0 OD1 A:ASN120 4.0 56.2 1.0 CG A:ASN120 4.0 61.0 1.0 ND2 A:ASN120 4.1 53.6 1.0 OE1 A:GLU92 4.1 66.5 1.0 C A:ASP64 4.3 50.0 1.0 O A:HOH401 4.3 69.8 1.0 OG1 A:THR97 4.6 48.2 1.0 CB A:ASN120 4.8 55.4 1.0 CA A:ASP64 4.8 47.7 1.0 C A:CYS65 4.9 50.7 1.0 CB A:GLU92 5.0 54.4 1.0

Arsenic binding site 2 out of 2 in the Room Temperature Structure of Hiv-1 Integrase Catalytic Core Domain By Serial Femtosecond Crystallography.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Room Temperature Structure of Hiv-1 Integrase Catalytic Core Domain By Serial Femtosecond Crystallography. within 5.0Å range: probe atom residue distance (Å) B Occ A:As302 b:67.3 occ:1.00 AS A:CAC302 0.0 67.3 1.0 O2 A:CAC302 1.6 77.7 1.0 C1 A:CAC302 2.0 69.0 1.0 C2 A:CAC302 2.0 72.5 1.0 SG A:CYS130 2.1 56.1 1.0 CB A:CYS130 2.9 36.2 1.0 O A:ILE135 4.3 48.7 1.0 CA A:CYS130 4.4 48.4 1.0 CG2 A:VAL113 4.4 55.5 1.0 CG1 A:VAL126 4.6 46.0 1.0 O A:VAL126 4.7 45.9 1.0 N A:GLN137 4.7 58.1 1.0 CG2 A:ILE135 4.8 41.0 1.0 C A:LYS136 4.8 59.4 1.0 CB A:GLN137 4.8 73.5 1.0 CA A:GLN137 4.9 66.0 1.0 O A:LYS136 4.9 53.8 1.0 CD2 A:PHE121 4.9 48.1 1.0 C A:ILE135 5.0 46.9 1.0 OE1 A:GLN137 5.0 86.9 1.0 CG A:PHE121 5.0 51.5 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