Chlorine in PDB 6in0: Crystal Structure of EPHA3 in Complex with 18-Crown-6

All present enzymatic activity of Crystal Structure of EPHA3 in Complex with 18-Crown-6:
2.7.10.1;

The structure of Crystal Structure of EPHA3 in Complex with 18-Crown-6, PDB code: 6in0 was solved by T.Yokoyama, Y.Kosaka, K.Matsumoto, R.Kitakami, Y.Nabeshima, M.Mizuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.28 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.114, 38.181, 74.860, 90.00, 100.72, 90.00
R / Rfree (%)	19.5 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of EPHA3 in Complex with 18-Crown-6 (pdb code 6in0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of EPHA3 in Complex with 18-Crown-6, PDB code: 6in0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of EPHA3 in Complex with 18-Crown-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of EPHA3 in Complex with 18-Crown-6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:39.3 occ:1.00 N A:ILE788 3.5 27.0 1.0 N A:ARG789 3.6 21.3 1.0 CD A:ARG789 3.8 21.7 1.0 CG A:ARG789 4.0 22.7 1.0 C A:PRO787 4.0 26.9 1.0 NH2 A:ARG789 4.0 25.6 1.0 CB A:ARG789 4.2 19.0 1.0 CZ3 A:TRP790 4.2 23.5 1.0 CB A:ILE788 4.2 34.0 1.0 ND2 A:ASN830 4.2 36.2 1.0 CA A:ILE788 4.2 23.4 1.0 CA A:PRO787 4.2 33.2 1.0 NH2 A:ARG823 4.3 32.2 1.0 C A:ILE788 4.4 18.8 1.0 CA A:ARG789 4.5 25.0 1.0 CE3 A:TRP790 4.5 22.7 1.0 NE A:ARG789 4.8 23.9 1.0 O A:PRO787 4.8 24.5 1.0 CZ A:ARG789 4.9 27.5 1.0 CG1 A:ILE788 4.9 33.9 1.0 O A:ILE786 5.0 45.8 1.0 CG A:ASN830 5.0 35.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of EPHA3 in Complex with 18-Crown-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of EPHA3 in Complex with 18-Crown-6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:27.9 occ:0.56 N A:ASP617 2.9 24.9 1.0 O A:HOH1227 2.9 27.6 1.0 ND2 A:ASN620 3.1 23.0 1.0 CA A:LEU616 3.6 18.9 1.0 CB A:ASP617 3.6 27.6 1.0 C A:LEU616 3.8 26.2 1.0 CA A:ASP617 3.8 28.0 1.0 CD2 A:LEU616 4.0 19.0 1.0 O A:ASP617 4.0 24.9 1.0 CB A:LEU616 4.0 17.3 1.0 CG A:ASN620 4.1 23.9 1.0 CB A:ASN620 4.2 18.8 1.0 C A:ASP617 4.4 27.1 1.0 O A:HOH1249 4.6 30.5 1.0 O A:HOH1148 4.6 20.6 1.0 CG A:LEU616 4.6 21.0 1.0 CE A:LYS614 4.7 38.0 1.0 O A:GLU615 4.7 26.6 1.0 N A:LEU616 4.9 21.2 1.0 O A:LYS641 4.9 17.2 1.0 O A:LEU616 5.0 27.2 1.0 NZ A:LYS614 5.0 30.4 1.0

T.Yokoyama, Y.Kosaka, K.Matsumoto, R.Kitakami, Y.Nabeshima, M.Mizuguchi. Crown Ethers As Transthyretin Amyloidogenesis Inhibitor To Be Published.