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Chlorine in PDB 4dmn: Hiv-1 Integrase Catalytical Core Domain

Protein crystallography data

The structure of Hiv-1 Integrase Catalytical Core Domain, PDB code: 4dmn was solved by L.Feng, M.Kvaratskhelia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.44 / 2.45
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 73.082, 73.082, 64.808, 90.00, 90.00, 120.00
R / Rfree (%) 23.1 / 27.6

Other elements in 4dmn:

The structure of Hiv-1 Integrase Catalytical Core Domain also contains other interesting chemical elements:

Bromine (Br) 1 atom
Arsenic (As) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hiv-1 Integrase Catalytical Core Domain (pdb code 4dmn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Hiv-1 Integrase Catalytical Core Domain, PDB code: 4dmn:

Chlorine binding site 1 out of 1 in 4dmn

Go back to Chlorine Binding Sites List in 4dmn
Chlorine binding site 1 out of 1 in the Hiv-1 Integrase Catalytical Core Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 Integrase Catalytical Core Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:57.9
occ:1.00
CL1 A:0L9305 0.0 57.9 1.0
C19 A:0L9305 1.8 51.4 1.0
C18 A:0L9305 2.7 51.7 1.0
C20 A:0L9305 2.8 53.6 1.0
CB A:TRP132 3.6 51.1 1.0
CG A:TRP132 3.6 49.3 1.0
CD2 A:TRP132 4.0 45.8 1.0
CD2 A:LEU102 4.1 39.1 1.0
C17 A:0L9305 4.1 52.1 1.0
C21 A:0L9305 4.1 53.9 1.0
CD1 A:LEU102 4.2 40.4 1.0
CD1 A:TRP132 4.2 47.5 1.0
CE3 A:TRP132 4.3 41.8 1.0
CA A:ALA129 4.4 49.3 1.0
O A:ALA128 4.4 50.4 1.0
CG A:LEU102 4.6 45.1 1.0
C10 A:0L9305 4.6 54.1 1.0
CE2 A:TRP132 4.7 46.1 1.0
N A:ALA129 4.7 49.1 1.0
C A:ALA128 4.7 50.5 1.0
NE1 A:TRP132 4.8 49.1 1.0

Reference:

J.J.Kessl, N.Jena, Y.Koh, H.Taskent-Sezgin, A.Slaughter, L.Feng, S.De Silva, L.Wu, S.F.Le Grice, A.Engelman, J.R.Fuchs, M.Kvaratskhelia. Multimode, Cooperative Mechanism of Action of Allosteric Hiv-1 Integrase Inhibitors. J.Biol.Chem. V. 287 16801 2012.
ISSN: ISSN 0021-9258
PubMed: 22437836
DOI: 10.1074/JBC.M112.354373
Page generated: Sat Dec 12 10:32:29 2020

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