Fluorine in PDB 4bvv: Identification of Small Molecule Inhibitors Selective For Apo(A) Kringles Kiv-7, Kiv-10 and Kv.

The structure of Identification of Small Molecule Inhibitors Selective For Apo(A) Kringles Kiv-7, Kiv-10 and Kv., PDB code: 4bvv was solved by J.Sandmark, M.Althage, G.M.K.Andersson, T.Antonsson, S.Blaho, C.Bodin, J.Bostrom, Y.Chen, A.Dahlen, P.O.Eriksson, E.Evertsson, T.Fex, O.Fjellstrom, D.Gustafsson, C.Hallberg, R.Hicks, E.Jarkvist, C.Johansson, I.Kalies, D.Kang, B.Svalstedt Karlsson, F.Kartberg, A.Legnehed, A.M.Lindqvist, S.A.Martinsson, A.Moberg, A.U.Petersson, M.Ridderstrom, A.Thelin, A.Tigerstrom, J.Vinblad, B.Xu, W.Knecht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.52 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.560, 46.960, 48.830, 90.00, 90.00, 90.00
R / Rfree (%)	19.801 / 23.07

The binding sites of Fluorine atom in the Identification of Small Molecule Inhibitors Selective For Apo(A) Kringles Kiv-7, Kiv-10 and Kv. (pdb code 4bvv). 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 Identification of Small Molecule Inhibitors Selective For Apo(A) Kringles Kiv-7, Kiv-10 and Kv., PDB code: 4bvv:

Fluorine binding site 1 out of 1 in the Identification of Small Molecule Inhibitors Selective For Apo(A) Kringles Kiv-7, Kiv-10 and Kv.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Identification of Small Molecule Inhibitors Selective For Apo(A) Kringles Kiv-7, Kiv-10 and Kv. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1081 b:8.6 occ:1.00 F1 A:CPF1081 0.0 8.6 1.0 C7 A:CPF1081 1.4 8.8 1.0 C6 A:CPF1081 2.3 8.7 1.0 C8 A:CPF1081 2.4 8.9 1.0 C14 A:CPF1081 2.8 9.4 1.0 N2 A:CPF1081 2.8 9.2 1.0 CG A:PHE72 3.3 8.8 1.0 CB A:PHE72 3.3 8.6 1.0 CZ3 A:TRP62 3.4 8.3 1.0 CD1 A:PHE72 3.6 8.7 1.0 C5 A:CPF1081 3.6 8.8 1.0 C9 A:CPF1081 3.7 8.8 1.0 CH2 A:TRP62 3.7 8.2 1.0 CE3 A:TRP62 3.9 8.2 1.0 CD2 A:PHE72 3.9 8.8 1.0 C15 A:CPF1081 4.0 9.5 1.0 C10 A:CPF1081 4.2 8.8 1.0 C17 A:CPF1081 4.3 9.4 1.0 CE1 A:PHE72 4.3 8.9 1.0 CZ2 A:TRP62 4.4 8.3 1.0 CD2 A:LEU71 4.5 8.5 1.0 CD2 A:TRP62 4.6 8.1 1.0 CE2 A:PHE72 4.6 8.9 1.0 CE1 A:TYR64 4.7 7.2 1.0 CE2 A:TRP62 4.8 8.2 1.0 CZ A:PHE72 4.8 9.0 1.0 CA A:PHE72 4.8 8.5 1.0 C4 A:CPF1081 4.9 9.0 1.0 CG A:LEU71 4.9 8.6 1.0 CZ A:TYR64 5.0 7.2 1.0

J.Sandmark, M.Althage, G.M.K.Andersson, T.Antonsson, S.Blaho, C.Bodin, J.Bostrom, Y.Chen, A.Dahlen, P.O.Eriksson, E.Evertsson, T.Fex, O.Fjellstrom, D.Gustafsson, C.Hallberg, R.Hicks, E.Jarkvist, C.Johansson, I.Kalies, D.Kang, B.Svalstedt Karlsson, F.Kartberg, A.Legnehed, A.M.Lindqvist, S.A.Martinsson, A.Moberg, A.U.Petersson, M.Ridderstrom, A.Thelin, A.Tigerstrom, J.Vinblad, B.Xu, W.Knecht. Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To Be Published.