Chlorine in PDB 5qhg: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT7 in Complex with NU000442A

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT7 in Complex with NU000442A, PDB code: 5qhg was solved by T.Krojer, R.Talon, M.Fairhead, L.Diaz Saez, A.R.Bradley, A.Aimon, P.Collins, J.Brandao-Neto, A.Douangamath, G.F.Ruda, T.Szommer, V.Srikannathasan, J.Elkins, J.Spencer, N.London, A.Nelson, P.E.Brennan, K.Huber, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	108.48 / 1.92
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.260, 125.260, 41.310, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 23.3

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT7 in Complex with NU000442A (pdb code 5qhg). 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 Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT7 in Complex with NU000442A, PDB code: 5qhg:

Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT7 in Complex with NU000442A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT7 in Complex with NU000442A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:37.4 occ:0.40 CL A:H17305 0.0 37.4 0.4 C18 A:H17305 1.8 28.3 0.4 C17 A:H17305 2.6 26.1 0.4 C19 A:H17305 2.8 28.9 0.4 CD1 A:LEU65 3.7 67.8 1.0 CG A:GLU141 3.7 57.5 1.0 CB A:GLU141 3.7 52.0 1.0 OE2 A:GLU97 3.8 45.3 1.0 C16 A:H17305 4.0 24.6 0.4 CD A:GLU141 4.0 55.5 1.0 O A:HOH447 4.0 61.7 1.0 C14 A:H17305 4.1 26.3 0.4 CD A:GLU97 4.3 47.1 1.0 OE2 A:GLU141 4.3 61.1 1.0 NH1 A:ARG61 4.4 48.0 1.0 O A:GLU141 4.4 45.2 1.0 CA A:GLU141 4.4 48.9 1.0 CG A:GLU97 4.5 43.5 1.0 OE1 A:GLU141 4.5 68.3 1.0 CD2 A:LEU65 4.5 61.9 1.0 C15 A:H17305 4.5 27.0 0.4 CG A:LEU65 4.7 67.0 1.0 C A:GLU141 4.7 47.0 1.0 CZ A:ARG61 5.0 50.1 1.0

T.Krojer, R.Talon, M.Fairhead, L.Diaz Saez, A.R.Bradley, A.Aimon, P.Collins, J.Brandao-Neto, A.Douangamath, G.F.Ruda, T.Szommer, V.Srikannathasan, J.Elkins, J.Spencer, N.London, A.Nelson, P.E.Brennan, K.Huber, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Von Delft. Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) To Be Published.