Fluorine in PDB 5uoq: Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 31)

Protein crystallography data

The structure of Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 31), PDB code: 5uoq was solved by D.J.Klein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.96 / 2.61
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 159.510, 159.510, 123.820, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 21.7

Other elements in 5uoq:

The structure of Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 31) also contains other interesting chemical elements:

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

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 31) (pdb code 5uoq). 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 Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 31), PDB code: 5uoq:

Fluorine binding site 1 out of 1 in 5uoq

Go back to Fluorine Binding Sites List in 5uoq
Fluorine binding site 1 out of 1 in the Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 31)


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 Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 31) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F409

b:52.9
occ:1.00
F A:8G1409 0.0 52.9 1.0
C23 A:8G1409 1.4 49.5 1.0
C24 A:8G1409 2.4 49.6 1.0
C22 A:8G1409 2.4 46.4 1.0
CL A:8G1409 2.9 57.8 1.0
N4 D:DC16 3.2 52.2 1.0
C4 D:DC16 3.5 53.0 1.0
C25 A:8G1409 3.6 47.5 1.0
C21 A:8G1409 3.6 42.2 1.0
CG A:GLN215 3.6 58.6 1.0
O6 C:DG4 3.7 52.3 1.0
CD A:GLN215 3.7 61.1 1.0
OE1 A:GLN215 3.7 61.3 1.0
C6 C:DG4 3.9 52.0 1.0
N3 D:DC16 4.0 54.1 1.0
N1 C:DG4 4.0 51.8 1.0
C5 D:DC16 4.0 52.9 1.0
C20 A:8G1409 4.1 46.1 1.0
NE2 A:GLN215 4.3 67.3 1.0
CG A:PRO214 4.4 54.1 1.0
N A:GLN215 4.5 55.0 1.0
C5 C:DG4 4.6 51.6 1.0
C2 C:DG4 4.8 51.2 1.0
CA A:GLN215 4.8 55.7 1.0
C2 D:DC16 4.8 54.6 1.0
CB A:GLN215 4.8 56.1 1.0
C6 D:DC16 4.8 53.8 1.0
CB A:PRO214 5.0 55.5 1.0

Reference:

J.D.Schreier, M.W.Embrey, I.T.Raheem, G.Barbe, L.C.Campeau, D.Dubost, J.Mccabe Dunn, J.Grobler, T.J.Hartingh, D.J.Hazuda, D.Klein, M.D.Miller, K.P.Moore, N.Nguyen, N.Pajkovic, D.A.Powell, V.Rada, J.M.Sanders, J.Sisko, T.G.Steele, J.Wai, A.Walji, M.Xu, P.J.Coleman. Discovery and Optimization of 2-Pyridinone Aminal Integrase Strand Transfer Inhibitors For the Treatment of Hiv. Bioorg. Med. Chem. Lett. V. 27 2038 2017.
ISSN: ESSN 1464-3405
PubMed: 28285916
DOI: 10.1016/J.BMCL.2017.02.039
Page generated: Sun Dec 13 12:39:32 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy