Atomistry » Fluorine » PDB 3rjc-3s9y » 3s3n
Atomistry »
  Fluorine »
    PDB 3rjc-3s9y »
      3s3n »

Fluorine in PDB 3s3n: Crystal Structure of the Prototype Foamy Virus (Pfv) S217H Mutant Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572)

Protein crystallography data

The structure of Crystal Structure of the Prototype Foamy Virus (Pfv) S217H Mutant Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572), PDB code: 3s3n was solved by S.Hare, P.Cherepanov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.16 / 2.49
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 160.050, 160.050, 123.610, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 23.2

Other elements in 3s3n:

The structure of Crystal Structure of the Prototype Foamy Virus (Pfv) S217H Mutant Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572) also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Prototype Foamy Virus (Pfv) S217H Mutant Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572) (pdb code 3s3n). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Prototype Foamy Virus (Pfv) S217H Mutant Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572), PDB code: 3s3n:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3s3n

Go back to Fluorine Binding Sites List in 3s3n
Fluorine binding site 1 out of 2 in the Crystal Structure of the Prototype Foamy Virus (Pfv) S217H Mutant Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Prototype Foamy Virus (Pfv) S217H Mutant Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F398

b:50.8
occ:1.00
FAF A:DLU398 0.0 50.8 1.0
CAT A:DLU398 1.3 44.6 1.0
CAJ A:DLU398 2.3 41.5 1.0
CAH A:DLU398 2.4 43.1 1.0
CG A:GLN215 2.9 41.5 0.5
C6 C:DG4 3.2 46.0 1.0
N1 C:DG4 3.2 45.0 1.0
CG A:GLN215 3.2 41.9 0.5
CD A:GLN215 3.4 39.7 0.5
OE1 A:GLN215 3.5 37.1 0.5
O6 C:DG4 3.5 48.0 1.0
CAU A:DLU398 3.6 41.7 1.0
CAI A:DLU398 3.7 41.3 1.0
C5 C:DG4 3.7 44.9 1.0
N4 D:DC16 3.7 46.6 1.0
C2 C:DG4 3.7 42.8 1.0
N A:GLN215 3.9 42.1 1.0
CB A:GLN215 3.9 42.8 0.5
CA A:GLN215 4.0 42.7 0.5
CA A:GLN215 4.0 42.8 0.5
C4 D:DC16 4.1 45.3 1.0
C4 C:DG4 4.1 45.3 1.0
CAV A:DLU398 4.1 41.2 1.0
N3 D:DC16 4.1 46.3 1.0
CB A:GLN215 4.1 42.8 0.5
N3 C:DG4 4.2 43.2 1.0
O C:HOH328 4.2 72.2 1.0
O C:HOH253 4.3 54.3 1.0
NE2 A:GLN215 4.3 41.6 0.5
CD A:GLN215 4.3 40.5 0.5
N2 C:DG4 4.4 37.9 1.0
NE2 A:GLN215 4.4 42.3 0.5
N7 C:DG4 4.5 43.9 1.0
C A:PRO214 4.6 42.5 1.0
FAG A:DLU398 4.6 44.8 1.0
CG A:PRO214 4.8 42.0 1.0
C5 D:DC16 4.9 44.9 1.0
N9 C:DG4 5.0 45.1 1.0

Fluorine binding site 2 out of 2 in 3s3n

Go back to Fluorine Binding Sites List in 3s3n
Fluorine binding site 2 out of 2 in the Crystal Structure of the Prototype Foamy Virus (Pfv) S217H Mutant Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Prototype Foamy Virus (Pfv) S217H Mutant Intasome in Complex with Magnesium and Dolutegravir (S/GSK1349572) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F398

b:44.8
occ:1.00
FAG A:DLU398 0.0 44.8 1.0
CAU A:DLU398 1.3 41.7 1.0
CAJ A:DLU398 2.3 41.5 1.0
CAV A:DLU398 2.4 41.2 1.0
CAN A:DLU398 2.9 39.4 1.0
C2' D:DC16 3.0 43.9 1.0
NAP A:DLU398 3.1 43.1 1.0
N1 D:DC16 3.2 45.7 1.0
CB A:GLU221 3.2 40.0 1.0
C6 D:DC16 3.4 44.9 1.0
CG A:GLU221 3.4 38.7 1.0
C1' D:DC16 3.5 44.0 1.0
C2 D:DC16 3.5 45.7 1.0
OE1 A:GLU221 3.6 38.3 1.0
CAT A:DLU398 3.6 44.6 1.0
CAI A:DLU398 3.6 41.3 1.0
CD A:GLU221 3.7 38.0 1.0
C5 D:DC16 3.9 44.9 1.0
OAD A:DLU398 3.9 49.1 1.0
CB A:PRO214 4.0 42.2 1.0
N3 D:DC16 4.0 46.3 1.0
O2 D:DC16 4.1 46.4 1.0
CAH A:DLU398 4.1 43.1 1.0
C4 D:DC16 4.1 45.3 1.0
C3' D:DC16 4.2 47.6 1.0
CAR A:DLU398 4.3 45.9 1.0
CA A:GLU221 4.4 40.2 1.0
CG A:PRO214 4.4 42.0 1.0
OE2 A:GLU221 4.6 38.9 1.0
FAF A:DLU398 4.6 50.8 1.0
O4' D:DC16 4.8 44.2 1.0
C A:GLU221 4.8 40.1 1.0
N2 C:DG4 4.8 37.9 1.0
MG A:MG397 4.9 46.3 1.0
O3' D:DC16 4.9 50.1 1.0
C5' D:DA17 5.0 55.1 0.5
CAZ A:DLU398 5.0 48.0 1.0
O A:GLU221 5.0 40.4 1.0

Reference:

S.Hare, S.J.Smith, M.Metifiot, A.Jaxa-Chamiec, Y.Pommier, S.H.Hughes, P.Cherepanov. Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol. V. 80 565 2011.
ISSN: ISSN 0026-895X
PubMed: 21719464
DOI: 10.1124/MOL.111.073189
Page generated: Sun Dec 13 11:54:59 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy