Chlorine in PDB 6b5q: DCN1 Bound to 38

The structure of DCN1 Bound to 38, PDB code: 6b5q was solved by J.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.44 / 2.16
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	88.087, 90.841, 105.010, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.1

The binding sites of Chlorine atom in the DCN1 Bound to 38 (pdb code 6b5q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the DCN1 Bound to 38, PDB code: 6b5q:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the DCN1 Bound to 38


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of DCN1 Bound to 38 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2 b:42.8 occ:1.00 CL D:CZS2 0.0 42.8 1.0 C34 D:CZS2 1.7 44.0 1.0 C35 D:CZS2 2.7 44.3 1.0 C33 D:CZS2 2.7 40.8 1.0 H47 D:CZS2 2.8 40.7 1.0 H48 D:CZS2 2.8 45.0 1.0 CZ A:PHE117 3.6 44.6 1.0 CE1 A:PHE117 3.7 43.0 1.0 CA A:ALA106 3.8 35.9 1.0 CE2 A:PHE117 3.8 47.3 1.0 CD1 A:PHE117 4.0 41.2 1.0 C36 D:CZS2 4.0 45.2 1.0 C32 D:CZS2 4.0 40.9 1.0 CD2 A:PHE117 4.1 43.3 1.0 CB A:ALA106 4.1 34.6 1.0 CG A:PHE117 4.2 39.6 1.0 N A:ALA106 4.2 39.7 1.0 CB A:PHE109 4.2 41.0 1.0 CE2 A:PHE89 4.3 56.1 1.0 CG A:PHE109 4.4 44.0 1.0 CG2 A:ILE105 4.4 51.4 1.0 CB A:ALA111 4.5 34.9 1.0 C31 D:CZS2 4.5 42.1 1.0 CD1 A:PHE109 4.5 46.5 1.0 C A:ILE105 4.6 44.8 1.0 O A:ILE105 4.7 44.2 1.0 H46 D:CZS2 4.9 40.9 1.0 CD2 A:PHE109 4.9 44.9 1.0 C A:ALA106 5.0 39.8 1.0

Chlorine binding site 2 out of 2 in the DCN1 Bound to 38


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of DCN1 Bound to 38 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2 b:48.4 occ:1.00 CL E:CZS2 0.0 48.4 1.0 C34 E:CZS2 1.7 49.1 1.0 C35 E:CZS2 2.7 46.7 1.0 C33 E:CZS2 2.7 47.4 1.0 H47 E:CZS2 2.8 47.6 1.0 H48 E:CZS2 2.9 46.2 1.0 CA B:ALA106 3.7 43.2 1.0 CZ B:PHE117 3.7 48.3 1.0 CE1 B:PHE117 3.8 48.3 1.0 CE2 B:PHE117 3.8 49.8 1.0 CB B:ALA106 4.0 40.9 1.0 C36 E:CZS2 4.0 48.2 1.0 C32 E:CZS2 4.0 46.0 1.0 N B:ALA106 4.0 46.6 1.0 CD1 B:PHE117 4.1 46.0 1.0 CD2 B:PHE117 4.1 46.0 1.0 CG2 B:ILE105 4.2 56.8 1.0 CG B:PHE117 4.3 43.0 1.0 CE2 B:PHE89 4.3 60.4 1.0 CB B:PHE109 4.4 54.7 1.0 CB B:ALA111 4.4 42.6 1.0 C B:ILE105 4.5 53.8 1.0 C31 E:CZS2 4.5 46.1 1.0 CG B:PHE109 4.5 58.6 1.0 O B:ILE105 4.6 55.9 1.0 H46 E:CZS2 4.8 46.4 1.0 CD2 B:PHE109 4.9 61.8 1.0 CD1 B:PHE109 4.9 63.8 1.0 CZ B:PHE89 5.0 61.1 1.0 C B:ALA106 5.0 46.8 1.0

H.Zhou, W.Zhou, B.Zhou, L.Liu, T.R.Chern, K.Chinnaswamy, J.Lu, D.Bernard, C.Y.Yang, S.Li, M.Wang, J.Stuckey, Y.Sun, S.Wang. High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction. J. Med. Chem. V. 61 1934 2018.
ISSN: ISSN 1520-4804
PubMed: 29438612
DOI: 10.1021/ACS.JMEDCHEM.7B01455