Fluorine in PDB 3ukr: Crystal Structure of Bos Taurus ARP2/3 Complex with Bound Inhibitor Ck-666

The structure of Crystal Structure of Bos Taurus ARP2/3 Complex with Bound Inhibitor Ck-666, PDB code: 3ukr was solved by B.J.Nolen, M.Han, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	111.186, 129.692, 204.995, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 26.1

The binding sites of Fluorine atom in the Crystal Structure of Bos Taurus ARP2/3 Complex with Bound Inhibitor Ck-666 (pdb code 3ukr). 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 Bos Taurus ARP2/3 Complex with Bound Inhibitor Ck-666, PDB code: 3ukr:

Fluorine binding site 1 out of 1 in the Crystal Structure of Bos Taurus ARP2/3 Complex with Bound Inhibitor Ck-666


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 Bos Taurus ARP2/3 Complex with Bound Inhibitor Ck-666 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:48.1 occ:1.00 FAV B:CKH401 0.0 48.1 1.0 CAS B:CKH401 1.3 47.5 1.0 CAT B:CKH401 2.4 47.6 1.0 CAI B:CKH401 2.4 47.0 1.0 NAG B:CKH401 2.6 46.0 1.0 CAH B:CKH401 2.9 46.7 1.0 CD1 B:LEU246 3.4 38.2 1.0 CG2 B:ILE252 3.4 34.7 1.0 CAU B:CKH401 3.6 47.5 1.0 CAJ B:CKH401 3.6 47.9 1.0 CB B:ARG250 3.7 45.2 1.0 CAF B:CKH401 3.9 43.5 1.0 CAQ B:CKH401 4.0 36.9 1.0 CD B:ARG250 4.1 51.6 1.0 CAK B:CKH401 4.1 48.2 1.0 OAR B:CKH401 4.1 46.1 1.0 CAP B:CKH401 4.3 39.8 1.0 O B:ILE251 4.5 41.1 1.0 CG B:ARG250 4.5 47.8 1.0 CAD B:CKH401 4.6 39.5 1.0 CG B:LEU246 4.6 38.0 1.0 C B:ARG250 4.6 42.3 1.0 CD1 B:TYR202 4.6 32.0 1.0 O B:ARG250 4.7 41.8 1.0 CAE B:CKH401 4.7 39.5 1.0 CA B:ARG250 4.8 43.1 1.0 CE1 B:TYR202 4.8 30.3 1.0 C B:ILE251 4.8 38.6 1.0 CB B:ILE252 4.9 35.7 1.0 N B:ILE251 4.9 40.7 1.0 NAO B:CKH401 5.0 38.6 1.0

A.W.Baggett, Z.Cournia, M.S.Han, G.Patargias, A.C.Glass, S.Y.Liu, B.J.Nolen. Structural Characterization and Computer-Aided Optimization of A Small-Molecule Inhibitor of the ARP2/3 Complex, A Key Regulator of the Actin Cytoskeleton. Chemmedchem V. 7 1286 2012.
ISSN: ISSN 1860-7179
PubMed: 22623398
DOI: 10.1002/CMDC.201200104