Fluorine in PDB 3oyl: Crystal Structure of the Pfv S217H Mutant Intasome Bound to Magnesium and the Insti MK2048

The structure of Crystal Structure of the Pfv S217H Mutant Intasome Bound to Magnesium and the Insti MK2048, PDB code: 3oyl 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)	39.09 / 2.54
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	159.700, 159.700, 123.510, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 22.7

The structure of Crystal Structure of the Pfv S217H Mutant Intasome Bound to Magnesium and the Insti MK2048 also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of the Pfv S217H Mutant Intasome Bound to Magnesium and the Insti MK2048 (pdb code 3oyl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the Pfv S217H Mutant Intasome Bound to Magnesium and the Insti MK2048, PDB code: 3oyl:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Pfv S217H Mutant Intasome Bound to Magnesium and the Insti MK2048


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 Pfv S217H Mutant Intasome Bound to Magnesium and the Insti MK2048 within 5.0Å range: probe atom residue distance (Å) B Occ A:F398 b:46.2 occ:1.00 FAH A:ZZX398 0.0 46.2 1.0 CAT A:ZZX398 1.3 43.9 1.0 CAV A:ZZX398 2.3 45.0 1.0 CAJ A:ZZX398 2.4 40.8 1.0 CLAI A:ZZX398 2.8 49.8 1.0 N4 D:DC16 3.2 36.0 1.0 CG A:GLN215 3.4 44.3 1.0 C4 D:DC16 3.5 36.1 1.0 O6 C:DG4 3.6 41.9 1.0 CD A:GLN215 3.6 45.0 1.0 CAL A:ZZX398 3.6 44.7 1.0 CAK A:ZZX398 3.6 40.2 1.0 C6 C:DG4 3.7 42.1 1.0 N1 C:DG4 3.8 44.2 1.0 OE1 A:GLN215 3.8 46.0 1.0 N3 D:DC16 3.9 35.8 1.0 O C:HOH253 3.9 55.7 1.0 CAU A:ZZX398 4.1 44.3 1.0 C5 D:DC16 4.1 35.8 1.0 NE2 A:GLN215 4.1 46.7 1.0 C5 C:DG4 4.4 41.7 1.0 O C:HOH328 4.5 59.0 1.0 C2 C:DG4 4.5 44.9 1.0 N A:GLN215 4.5 42.8 1.0 CG A:PRO214 4.6 42.5 1.0 CB A:GLN215 4.7 43.4 1.0 C2 D:DC16 4.7 37.1 1.0 CA A:GLN215 4.8 43.2 1.0 O A:HOH545 4.9 52.5 1.0 O A:HOH479 4.9 58.4 1.0 C6 D:DC16 4.9 37.6 1.0

S.Hare, A.M.Vos, R.F.Clayton, J.W.Thuring, M.D.Cummings, P.Cherepanov. Molecular Mechanisms of Retroviral Integrase Inhibition and the Evolution of Viral Resistance. Proc.Natl.Acad.Sci.Usa V. 107 20057 2010.
ISSN: ISSN 0027-8424
PubMed: 21030679
DOI: 10.1073/PNAS.1010246107