Chlorine in PDB 6q0v: Structure of DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39

The structure of Structure of DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39, PDB code: 6q0v was solved by T.Faust, H.Yoon, R.P.Nowak, K.A.Donovan, Z.Li, Q.Cai, N.A.Eleuteri, T.Zhang, N.S.Gray, E.S.Fischer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.55 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.769, 94.613, 260.390, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 24.2

The structure of Structure of DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39 also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Structure of DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39 (pdb code 6q0v). 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 DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39, PDB code: 6q0v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:0.4 occ:1.00 CL B:P7M301 0.0 0.4 1.0 C B:P7M301 1.7 97.0 1.0 C1 B:P7M301 2.7 90.3 1.0 C10 B:P7M301 2.7 88.8 1.0 CG2 B:THR230 3.4 69.0 1.0 CB C:ARG552 3.9 74.9 1.0 CB B:THR230 3.9 73.3 1.0 C2 B:P7M301 4.0 92.4 1.0 C9 B:P7M301 4.0 86.0 1.0 CA D:GLY268 4.1 93.7 1.0 CG C:ARG552 4.1 65.3 1.0 CG2 C:VAL556 4.2 80.6 1.0 CD C:ARG552 4.2 69.0 1.0 O D:MET265 4.2 96.2 1.0 OG1 B:THR230 4.3 66.6 1.0 CA D:MET265 4.5 86.7 1.0 C3 B:P7M301 4.5 90.9 1.0 C D:GLY268 4.5 98.0 1.0 O D:ASP264 4.7 95.0 1.0 O C:ARG552 4.7 87.1 1.0 CA C:ARG552 4.8 78.0 1.0 N D:ILE269 4.8 94.0 1.0 C D:MET265 4.9 95.7 1.0 N D:GLY268 4.9 94.1 1.0 CG D:MET265 4.9 87.4 1.0 C C:ARG552 5.0 84.1 1.0

Chlorine binding site 2 out of 2 in the Structure of DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:0.3 occ:1.00 CL1 B:P7M301 0.0 0.3 1.0 C2 B:P7M301 1.7 92.4 1.0 O2 B:P7M301 2.6 0.5 1.0 C1 B:P7M301 2.7 90.3 1.0 C3 B:P7M301 2.7 90.9 1.0 C4 B:P7M301 2.9 96.6 1.0 CG1 C:VAL559 3.3 77.3 1.0 C B:P7M301 3.9 97.0 1.0 NE2 B:GLN232 4.0 60.7 1.0 C9 B:P7M301 4.0 86.0 1.0 CE2 B:PHE235 4.2 71.8 1.0 N B:P7M301 4.3 95.3 1.0 CE D:MET265 4.3 83.8 1.0 CB C:VAL559 4.4 77.3 1.0 CG2 C:VAL559 4.4 76.7 1.0 C10 B:P7M301 4.5 88.8 1.0 O C:ILE478 4.7 70.3 1.0 CD2 B:PHE235 4.8 69.1 1.0 C6 B:P7M301 4.8 0.3 1.0 CA C:VAL556 4.8 77.4 1.0 CG2 C:VAL556 4.8 80.6 1.0 CG D:MET265 4.9 87.4 1.0 CG1 C:VAL477 4.9 72.6 1.0 C5 B:P7M301 4.9 0.4 1.0 CD B:GLN232 4.9 77.7 1.0 C7 B:P7M301 5.0 0.3 1.0 N C:VAL556 5.0 78.0 1.0

T.B.Faust, H.Yoon, R.P.Nowak, K.A.Donovan, Z.Li, Q.Cai, N.A.Eleuteri, T.Zhang, N.S.Gray, E.S.Fischer. Structural Complementarity Facilitates E7820-Mediated Degradation of RBM39 By DCAF15. Nat.Chem.Biol. 2019.
ISSN: ESSN 1552-4469
PubMed: 31686031
DOI: 10.1038/S41589-019-0378-3