Chlorine in PDB 5v86: Structure of DCN1 Bound to Nacm-Opt

All present enzymatic activity of Structure of DCN1 Bound to Nacm-Opt:
3.2.1.17;

The structure of Structure of DCN1 Bound to Nacm-Opt, PDB code: 5v86 was solved by R.K.Guy, B.A.Schulman, D.C.Scott, J.T.Hammill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.18 / 1.37
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.045, 96.849, 59.302, 90.00, 105.83, 90.00
R / Rfree (%)	15.5 / 19.5

The binding sites of Chlorine atom in the Structure of DCN1 Bound to Nacm-Opt (pdb code 5v86). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of DCN1 Bound to Nacm-Opt, PDB code: 5v86:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of DCN1 Bound to Nacm-Opt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of DCN1 Bound to Nacm-Opt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:29.5 occ:1.00 CL2 A:8ZA2001 0.0 29.5 1.0 C22 A:8ZA2001 1.7 20.2 1.0 C21 A:8ZA2001 2.7 17.4 1.0 C23 A:8ZA2001 2.7 17.6 1.0 HG22 A:ILE1105 3.0 22.9 1.0 CL1 A:8ZA2001 3.0 21.1 1.0 HG13 A:VAL1102 3.2 21.4 1.0 HB2 A:ALA1106 3.2 17.4 1.0 HB A:ILE1105 3.3 20.6 1.0 O A:VAL1102 3.4 15.1 1.0 HE2 A:PHE1089 3.5 27.2 1.0 HG21 A:ILE1105 3.5 22.9 1.0 H A:ALA1106 3.5 16.2 1.0 CG2 A:ILE1105 3.6 19.1 1.0 HA A:ALA1106 3.7 16.8 1.0 N A:ALA1106 3.7 13.5 1.0 CB A:ILE1105 3.9 17.2 1.0 HG12 A:VAL1102 3.9 21.4 1.0 C18 A:8ZA2001 4.0 16.5 1.0 C20 A:8ZA2001 4.0 17.4 1.0 CA A:ALA1106 4.0 14.0 1.0 CG1 A:VAL1102 4.0 17.8 1.0 CB A:ALA1106 4.0 14.5 1.0 HG23 A:ILE1086 4.3 21.5 1.0 CE2 A:PHE1089 4.3 22.7 1.0 C A:ILE1105 4.3 15.0 1.0 HD2 A:PHE1089 4.3 24.9 1.0 HA A:VAL1102 4.4 17.8 1.0 C A:VAL1102 4.4 14.3 1.0 HG23 A:ILE1105 4.5 22.9 1.0 C19 A:8ZA2001 4.5 15.3 1.0 HG11 A:VAL1102 4.6 21.4 1.0 HB1 A:ALA1106 4.6 17.4 1.0 HB3 A:ALA1106 4.6 17.4 1.0 CA A:ILE1105 4.7 15.0 1.0 CD2 A:PHE1089 4.7 20.8 1.0 HG21 A:ILE1086 4.7 21.5 1.0 CA A:VAL1102 4.8 14.8 1.0 HD12 A:ILE1105 4.9 26.0 1.0 CG2 A:ILE1086 4.9 17.9 1.0 O A:ILE1105 4.9 15.3 1.0 HD13 A:ILE1105 4.9 26.0 1.0 CB A:VAL1102 5.0 16.7 1.0

Chlorine binding site 2 out of 2 in the Structure of DCN1 Bound to Nacm-Opt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of DCN1 Bound to Nacm-Opt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:21.1 occ:1.00 CL1 A:8ZA2001 0.0 21.1 1.0 C21 A:8ZA2001 1.7 17.4 1.0 C22 A:8ZA2001 2.7 20.2 1.0 C20 A:8ZA2001 2.8 17.4 1.0 HA A:ALA1106 2.9 16.8 1.0 CL2 A:8ZA2001 3.0 29.5 1.0 HB2 A:ALA1111 3.1 18.2 1.0 HB2 A:PHE1109 3.4 18.3 1.0 CE2 A:PHE1117 3.5 17.0 1.0 CD2 A:PHE1117 3.5 15.5 1.0 CZ A:PHE1117 3.6 18.0 1.0 CG A:PHE1117 3.6 14.7 1.0 CE1 A:PHE1117 3.7 17.9 1.0 HG22 A:ILE1105 3.7 22.9 1.0 CD1 A:PHE1117 3.7 17.0 1.0 CA A:ALA1106 3.8 14.0 1.0 HB2 A:ALA1106 3.9 17.4 1.0 HE2 A:PHE1117 3.9 20.4 1.0 HD2 A:PHE1117 3.9 18.6 1.0 CB A:ALA1111 4.0 15.1 1.0 C23 A:8ZA2001 4.0 17.6 1.0 HB3 A:PHE1109 4.0 18.3 1.0 HZ A:PHE1117 4.0 21.6 1.0 C19 A:8ZA2001 4.1 15.3 1.0 CB A:PHE1109 4.1 15.2 1.0 HB2 A:PHE1117 4.1 18.7 1.0 HE1 A:PHE1117 4.1 21.5 1.0 HB1 A:ALA1111 4.1 18.2 1.0 HB3 A:ALA1111 4.2 18.2 1.0 HD1 A:PHE1117 4.2 20.4 1.0 CB A:ALA1106 4.2 14.5 1.0 HB1 A:ALA1106 4.3 17.4 1.0 N A:ALA1106 4.4 13.5 1.0 CG A:PHE1109 4.4 14.2 1.0 CB A:PHE1117 4.5 15.6 1.0 C18 A:8ZA2001 4.5 16.5 1.0 CG2 A:ILE1105 4.6 19.1 1.0 HE2 A:PHE1089 4.7 27.2 1.0 O A:ILE1105 4.7 15.3 1.0 HD2 A:PHE1109 4.7 22.3 1.0 H A:ALA1106 4.7 16.2 1.0 CD2 A:PHE1109 4.7 18.6 1.0 HG21 A:ILE1105 4.8 22.9 1.0 C A:ILE1105 4.8 15.0 1.0 HA A:PHE1117 4.8 19.0 1.0 C A:ALA1106 4.9 13.6 1.0 O A:ALA1106 4.9 14.2 1.0 HE1 A:PHE1164 4.9 19.2 1.0

D.C.Scott, J.T.Hammill, J.Min, D.Y.Rhee, M.Connelly, V.O.Sviderskiy, D.Bhasin, Y.Chen, S.S.Ong, S.C.Chai, A.N.Goktug, G.Huang, J.K.Monda, J.Low, H.S.Kim, J.A.Paulo, J.R.Cannon, A.A.Shelat, T.Chen, I.R.Kelsall, A.F.Alpi, V.Pagala, X.Wang, J.Peng, B.Singh, J.W.Harper, B.A.Schulman, R.K.Guy. Blocking An N-Terminal Acetylation-Dependent Protein Interaction Inhibits An E3 Ligase. Nat. Chem. Biol. V. 13 850 2017.
ISSN: ESSN 1552-4469
PubMed: 28581483
DOI: 10.1038/NCHEMBIO.2386