Chlorine in PDB 1exq: Crystal Structure of the Hiv-1 Integrase Catalytic Core Domain

The structure of Crystal Structure of the Hiv-1 Integrase Catalytic Core Domain, PDB code: 1exq was solved by J.C.-H.Chen, J.Krucinski, L.J.W.Miercke, J.S.Finer-Moore, A.H.Tang, A.D.Leavitt, R.M.Stroud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.11 / 1.60
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	48.886, 48.886, 103.644, 90.00, 90.00, 120.00
R / Rfree (%)	25.3 / 27.1

The structure of Crystal Structure of the Hiv-1 Integrase Catalytic Core Domain also contains other interesting chemical elements:

Cadmium

(Cd)

4 atoms

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

Chlorine binding site 1 out of 2 in the Crystal Structure of the Hiv-1 Integrase Catalytic Core Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Hiv-1 Integrase Catalytic Core Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:33.0 occ:1.00 CD A:CD1002 3.1 26.4 1.0 ND2 A:ASN120 3.3 25.3 1.0 O A:HOH1005 3.3 25.2 1.0 CD2 A:LEU74 3.6 23.6 1.0 CB A:CYS65 3.8 25.0 1.0 CE2 A:PHE121 3.9 32.2 1.0 CZ A:PHE121 4.0 32.6 1.0 OD2 A:ASP116 4.1 29.3 1.0 N A:CYS65 4.2 25.6 1.0 CG A:ASN120 4.2 25.9 1.0 OD1 A:ASN120 4.2 23.3 1.0 OE2 A:GLU92 4.3 26.0 1.0 O A:HOH1006 4.3 27.5 1.0 SG A:CYS65 4.3 25.1 1.0 C A:ASP64 4.4 26.6 1.0 CA A:CYS65 4.5 24.9 1.0 CD A:GLU92 4.5 25.1 1.0 OD1 A:ASP116 4.6 28.9 1.0 CG A:GLU92 4.7 24.6 1.0 CG A:ASP116 4.7 28.2 1.0 CA A:ASP64 4.8 27.2 1.0 O A:ASP64 4.8 26.1 1.0 CG A:LEU63 4.9 30.5 1.0 CG A:LEU74 5.0 22.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Hiv-1 Integrase Catalytic Core Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Hiv-1 Integrase Catalytic Core Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:35.1 occ:1.00 CD B:CD1004 3.1 25.9 1.0 ND2 B:ASN120 3.3 26.0 1.0 O B:HOH1024 3.5 30.5 1.0 CD1 B:LEU74 3.8 23.5 1.0 CE2 B:PHE121 3.8 32.9 1.0 CB B:CYS65 3.8 25.2 1.0 CZ B:PHE121 4.0 33.1 1.0 OD1 B:ASN120 4.1 23.8 1.0 OD2 B:ASP116 4.1 24.3 1.0 CG B:ASN120 4.2 25.6 1.0 O B:HOH1012 4.2 26.1 1.0 OE2 B:GLU92 4.2 31.2 1.0 N B:CYS65 4.2 26.6 1.0 SG B:CYS65 4.3 23.6 1.0 CD B:GLU92 4.4 30.6 1.0 CA B:CYS65 4.5 26.1 1.0 C B:ASP64 4.6 27.4 1.0 CG B:GLU92 4.6 28.8 1.0 CG B:LEU74 4.6 23.2 1.0 OD1 B:ASP116 4.7 25.7 1.0 O B:HOH1032 4.7 28.8 1.0 CG B:ASP116 4.7 24.1 1.0 CG B:LEU63 4.9 28.1 1.0 OE1 B:GLU92 4.9 31.3 1.0 CA B:ASP64 5.0 27.9 1.0

J.C.Chen, J.Krucinski, L.J.Miercke, J.S.Finer-Moore, A.H.Tang, A.D.Leavitt, R.M.Stroud. Crystal Structure of the Hiv-1 Integrase Catalytic Core and C-Terminal Domains: A Model For Viral Dna Binding. Proc.Natl.Acad.Sci.Usa V. 97 8233 2000.
ISSN: ISSN 0027-8424
PubMed: 10890912
DOI: 10.1073/PNAS.150220297