Atomistry » Fluorine » PDB 4iju-4j0t » 4ikf
Atomistry »
  Fluorine »
    PDB 4iju-4j0t »
      4ikf »

Fluorine in PDB 4ikf: Pfv Intasome with Inhibitor Mb-76

Protein crystallography data

The structure of Pfv Intasome with Inhibitor Mb-76, PDB code: 4ikf was solved by O.Taltynov, J.Demeulemeester, B.A.Desimmie, V.Suchaud, M.Billamboz, C.Lion, F.Bailly, Z.Debyser, P.Cotelle, F.Christ, S.V.Strelkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.85 / 3.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 159.070, 159.070, 123.820, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 23

Other elements in 4ikf:

The structure of Pfv Intasome with Inhibitor Mb-76 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 Pfv Intasome with Inhibitor Mb-76 (pdb code 4ikf). 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 Pfv Intasome with Inhibitor Mb-76, PDB code: 4ikf:

Fluorine binding site 1 out of 1 in 4ikf

Go back to Fluorine Binding Sites List in 4ikf
Fluorine binding site 1 out of 1 in the Pfv Intasome with Inhibitor Mb-76


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pfv Intasome with Inhibitor Mb-76 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F101

b:95.1
occ:1.00
F9 D:M76101 0.0 95.1 1.0
C8 D:M76101 1.3 79.1 1.0
C7 D:M76101 2.4 65.0 1.0
C10 D:M76101 2.4 70.6 1.0
OE1 A:GLN215 3.3 77.6 0.7
C6 C:DG4 3.3 88.8 1.0
N1 C:DG4 3.3 88.3 1.0
O6 C:DG4 3.5 94.0 1.0
N4 D:DC16 3.6 89.7 1.0
C11 D:M76101 3.6 68.8 1.0
C6 D:M76101 3.6 71.9 1.0
CD A:GLN215 3.7 79.6 0.7
N A:GLN215 3.7 79.1 1.0
C5 C:DG4 3.8 86.4 1.0
CG A:GLN215 3.8 71.7 0.7
CA A:GLN215 3.8 80.3 0.7
C2 C:DG4 3.9 89.0 1.0
N3 D:DC16 3.9 82.9 1.0
C4 D:DC16 3.9 83.0 1.0
C5 D:M76101 4.1 69.2 1.0
C4 C:DG4 4.2 93.0 1.0
C A:PRO214 4.3 84.0 1.0
CB A:GLN215 4.3 66.0 0.7
N3 C:DG4 4.3 97.7 1.0
CG A:PRO214 4.5 82.9 1.0
N7 C:DG4 4.5 89.4 1.0
N2 C:DG4 4.6 88.1 1.0
NE2 A:GLN215 4.6 82.6 0.7
O A:PRO214 4.7 92.8 1.0
C2 D:DC16 4.7 83.0 1.0
C5 D:DC16 4.8 84.7 1.0
CB A:PRO214 4.8 81.7 1.0

Reference:

B.A.Desimmie, J.Demeulemeester, V.Suchaud, O.Taltynov, M.Billamboz, C.Lion, F.Bailly, S.V.Strelkov, Z.Debyser, P.Cotelle, F.Christ. 2-Hydroxyisoquinoline-1,3(2H,4H)-Diones (Hids), Novel Inhibitors of Hiv Integrase with A High Barrier to Resistance. Acs Chem.Biol. V. 8 1187 2013.
ISSN: ISSN 1554-8929
PubMed: 23517458
DOI: 10.1021/CB4000426
Page generated: Thu Aug 1 02:31:48 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy