Chlorine in PDB 4bvc: 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: 4bvc 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)	23.61 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.550, 45.690, 55.110, 90.00, 90.00, 90.00
R / Rfree (%)	15.706 / 19.419

The structure of Identification of Small Molecule Inhibitors Selective For Apo(A) Kringles Kiv-7, Kiv-10 and Kv. also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Identification of Small Molecule Inhibitors Selective For Apo(A) Kringles Kiv-7, Kiv-10 and Kv. (pdb code 4bvc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Identification of Small Molecule Inhibitors Selective For Apo(A) Kringles Kiv-7, Kiv-10 and Kv., PDB code: 4bvc:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1081 b:27.1 occ:1.00 O A:HOH2006 2.9 29.4 1.0 N A:HIS3 3.2 14.9 1.0 O A:HOH2010 3.2 21.9 1.0 N A:TYR9 3.4 11.2 1.0 CA A:TYR9 3.5 10.8 1.0 CD2 A:HIS3 3.7 17.6 1.0 C A:SER8 3.8 11.8 1.0 CA A:TYR2 3.8 15.5 1.0 CB A:TYR9 3.8 10.7 1.0 CB A:HIS3 3.9 15.9 1.0 C A:TYR2 4.0 14.9 1.0 O A:SER8 4.1 11.9 1.0 CA A:HIS3 4.1 15.1 1.0 CB A:TYR2 4.1 14.8 1.0 CG A:HIS3 4.1 16.9 1.0 CB A:SER8 4.4 12.7 1.0 O A:HIS3 4.4 14.0 1.0 O A:HOH2004 4.5 16.0 1.0 CA A:SER8 4.5 12.5 1.0 CD1 A:TYR9 4.6 10.4 1.0 O A:CYS1 4.6 20.0 1.0 O A:HOH2023 4.7 27.9 1.0 CG A:TYR9 4.7 10.5 1.0 C A:HIS3 4.8 14.3 1.0 N A:SER8 4.8 12.6 1.0 C A:TYR9 4.9 10.6 1.0 NE2 A:HIS3 4.9 18.1 1.0 CA A:GLY6 4.9 12.3 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.