Chlorine in PDB 3nru: Ligand Binding Domain of EPHA7

All present enzymatic activity of Ligand Binding Domain of EPHA7:
2.7.10.1;

The structure of Ligand Binding Domain of EPHA7, PDB code: 3nru was solved by J.R.Walker, L.Yermekbayeva, A.Seitova, J.Kania, C.Bountra, J.Weigelt, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, S.Dhe-Paganon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	137.617, 140.699, 143.783, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 26.9

The binding sites of Chlorine atom in the Ligand Binding Domain of EPHA7 (pdb code 3nru). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ligand Binding Domain of EPHA7, PDB code: 3nru:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ligand Binding Domain of EPHA7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ligand Binding Domain of EPHA7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl300 b:73.3 occ:1.00 OG1 B:THR130 3.6 37.3 1.0 N B:ASP131 3.8 39.2 1.0 NZ B:LYS179 4.2 48.5 1.0 CB B:ASP131 4.3 43.8 1.0 CE B:LYS179 4.3 44.4 1.0 CA B:THR130 4.4 35.3 1.0 CD B:LYS179 4.5 43.2 1.0 CB B:THR130 4.5 34.9 1.0 OD2 B:ASP131 4.6 46.4 1.0 CG B:ASP131 4.6 44.2 1.0 C B:THR130 4.6 36.7 1.0 CA B:ASP131 4.6 41.4 1.0

Chlorine binding site 2 out of 2 in the Ligand Binding Domain of EPHA7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ligand Binding Domain of EPHA7 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl300 b:74.1 occ:1.00 OG1 C:THR130 3.6 42.4 1.0 N C:ASP131 3.7 44.0 1.0 NZ C:LYS179 4.1 49.1 1.0 CB C:ASP131 4.1 48.5 1.0 OD2 C:ASP131 4.2 50.3 1.0 CD C:LYS179 4.3 44.3 1.0 CE C:LYS179 4.3 45.2 1.0 CA C:THR130 4.3 40.3 1.0 CG C:ASP131 4.4 49.3 1.0 CB C:THR130 4.5 40.0 1.0 CA C:ASP131 4.6 46.0 1.0 C C:THR130 4.6 41.5 1.0

J.R.Walker, L.Yermekbayeva, A.Seitova, J.Kania, C.Bountra, J.Weigelt, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, S.Dhe-Paganon. Ephrin A7 Ligand Binding Domain To Be Published.