Chlorine in PDB 7gqs: Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Adp

The structure of Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Adp, PDB code: 7gqs was solved by M.Classen, J.Benz, D.Brugger, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.89 / 1.57
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.071, 90.066, 53.788, 90, 102.46, 90
R / Rfree (%)	17.5 / 21.9

The structure of Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Adp also contains other interesting chemical elements:

Cadmium

(Cd)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Adp (pdb code 7gqs). 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 Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Adp, PDB code: 7gqs:

Chlorine binding site 1 out of 1 in the Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Adp


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 Werner Helicase Fragment 517-945 in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:30.2 occ:1.00 O A:HOH1191 3.0 19.9 1.0 O A:HOH1235 3.2 19.0 1.0 N A:ILE873 3.3 23.5 1.0 CG A:PRO772 3.5 28.9 1.0 OD1 A:ASP872 3.6 25.1 1.0 CB A:ASP872 3.6 22.5 1.0 CG A:ASP872 3.6 23.1 1.0 CA A:ASP872 3.7 24.8 1.0 C A:ASP872 4.0 28.3 1.0 CG1 A:ILE873 4.0 38.5 1.0 NZ A:LYS742 4.0 20.7 1.0 CA A:GLY840 4.2 18.1 1.0 OD2 A:ASP872 4.3 24.4 1.0 CG2 A:ILE873 4.4 39.2 1.0 CA A:ILE873 4.5 31.1 1.0 CB A:PRO772 4.5 26.3 1.0 CB A:ILE873 4.5 38.4 1.0 CD A:PRO772 4.5 20.7 1.0 O A:HOH1135 4.6 31.9 1.0 CD1 A:ILE873 4.7 44.2 1.0 O A:TYR839 4.9 16.1 1.0 N A:ALA841 5.0 12.7 1.0 N A:ASN874 5.0 27.5 1.0 N A:ASP872 5.0 22.2 1.0

K.A.Baltgalvis, K.N.Lamb, K.T.Symons, C.C.Wu, M.A.Hoffman, A.N.Snead, X.Song, T.Glaza, S.Kikuchi, J.C.Green, D.C.Rogness, B.Lam, M.E.Rodriguez-Aguirre, D.R.Woody, C.L.Eissler, S.Rodiles, S.M.Negron, S.M.Bernard, E.Tran, J.Pollock, A.Tabatabaei, V.Contreras, H.N.Williams, M.K.Pastuszka, J.J.Sigler, P.Pettazzoni, M.G.Rudolph, M.Classen, D.Brugger, C.Claiborne, J.M.Plancher, I.Cuartas, J.Seoane, L.E.Burgess, R.T.Abraham, D.S.Weinstein, G.M.Simon, M.P.Patricelli, T.M.Kinsella. Chemoproteomic Discovery of A Covalent Allosteric Inhibitor of Wrn Helicase Nature 2024.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-024-07318-Y