Chlorine in PDB 7hge: Pandda Analysis Group Deposition -- Crystal Structure of Hrp-2 Pwwp Domain in Complex with Z45527714

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Hrp-2 Pwwp Domain in Complex with Z45527714, PDB code: 7hge was solved by T.Vantieghem, E.Osipov, D.Fearon, A.Douangamath, F.Von Delft, S.Strelkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.63 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.38, 42.01, 158.09, 90, 90, 90
R / Rfree (%)	20 / 23.8

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Hrp-2 Pwwp Domain in Complex with Z45527714 (pdb code 7hge). 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 -- Crystal Structure of Hrp-2 Pwwp Domain in Complex with Z45527714, PDB code: 7hge:

Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Hrp-2 Pwwp Domain in Complex with Z45527714


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 -- Crystal Structure of Hrp-2 Pwwp Domain in Complex with Z45527714 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:52.6 occ:0.80 CL1 B:X0S103 0.0 52.6 0.8 C6 B:X0S103 1.7 55.0 0.8 C1 B:X0S103 2.7 51.4 0.8 C5 B:X0S103 2.7 46.8 0.8 N1 B:X0S103 3.2 46.0 0.8 O1 B:X0S103 3.2 48.6 0.8 S1 B:X0S103 3.3 40.3 0.8 CE1 B:PHE44 3.3 33.4 1.0 CD1 B:PHE44 3.3 30.6 1.0 CZ B:PHE44 3.6 32.2 1.0 CG B:PHE44 3.7 28.3 1.0 CE B:MET15 3.8 47.7 1.0 C7 B:X0S103 3.8 35.8 0.8 CB B:GLU49 3.9 40.4 1.0 CE2 B:PHE44 4.0 32.1 1.0 C2 B:X0S103 4.0 56.1 0.8 CD2 B:PHE44 4.0 28.3 1.0 C4 B:X0S103 4.0 50.3 0.8 OE2 B:GLU49 4.0 45.5 1.0 CG B:MET15 4.4 39.9 1.0 C3 B:X0S103 4.5 51.2 0.8 CB B:PHE44 4.6 26.3 1.0 CD B:GLU49 4.6 47.3 1.0 CG B:GLU49 4.6 41.4 1.0 SD B:MET15 4.6 49.8 1.0 CB B:ALA51 4.6 35.5 1.0 O2 B:X0S103 4.6 46.2 0.8 O B:THR50 4.9 38.8 1.0

T.Vantieghem, N.A.Aslam, E.M.Osipov, M.Akele, S.Van Belle, S.Beelen, M.Drexler, T.Paulovcakova, V.Lux, D.Fearon, A.Douangamath, F.Von Delft, F.Christ, V.Veverka, P.Verwilst, A.Van Aerschot, Z.Debyser, S.V.Strelkov. Rational Fragment-Based Design of Compounds Targeting the Pwwp Domain of the Hrp Family. Eur.J.Med.Chem. V. 280 16960 2024.
ISSN: ISSN 0223-5234
PubMed: 39461037
DOI: 10.1016/J.EJMECH.2024.116960