Bromine 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:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the Structure of DDB1-DDA1-DCAF15 Complex Bound to Tasisulam and RBM39, PDB code: 6q0v:

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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:Br301 b:0.4 occ:1.00 BR B:P7M301 0.0 0.4 1.0 C8 B:P7M301 1.9 0.0 1.0 C7 B:P7M301 2.9 0.3 1.0 S1 B:P7M301 3.1 0.2 1.0 CD2 C:LEU563 3.7 92.6 1.0 CD1 C:LEU563 3.8 89.4 1.0 C6 B:P7M301 4.1 0.3 1.0 C5 B:P7M301 4.2 0.4 1.0 CG C:LEU563 4.4 89.9 1.0 CE D:MET265 4.5 83.8 1.0 CG2 C:VAL559 4.6 76.7 1.0 SD C:MET560 4.9 91.4 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