Chlorine in PDB 5t35: The Protac MZ1 in Complex with the Second Bromodomain of BRD4 and Pvhl:Elonginc:Elonginb

The structure of The Protac MZ1 in Complex with the Second Bromodomain of BRD4 and Pvhl:Elonginc:Elonginb, PDB code: 5t35 was solved by M.S.Gadd, M.Zengerle, A.Ciulli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.21 / 2.70
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	102.306, 102.306, 144.329, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 23.1

The binding sites of Chlorine atom in the The Protac MZ1 in Complex with the Second Bromodomain of BRD4 and Pvhl:Elonginc:Elonginb (pdb code 5t35). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Protac MZ1 in Complex with the Second Bromodomain of BRD4 and Pvhl:Elonginc:Elonginb, PDB code: 5t35:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Protac MZ1 in Complex with the Second Bromodomain of BRD4 and Pvhl:Elonginc:Elonginb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Protac MZ1 in Complex with the Second Bromodomain of BRD4 and Pvhl:Elonginc:Elonginb within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:39.1 occ:1.00 CL1 D:759301 0.0 39.1 1.0 CBY D:759301 1.8 35.0 1.0 CAO D:759301 2.8 39.6 1.0 CAN D:759301 2.8 34.9 1.0 CB A:GLU438 4.0 47.6 1.0 CAS D:759301 4.1 36.4 1.0 CAR D:759301 4.1 37.6 1.0 CBB D:759301 4.3 46.8 1.0 CZ2 A:TRP374 4.3 38.1 1.0 CBD D:759301 4.3 41.7 1.0 CB D:ARG69 4.4 56.9 1.0 SD A:MET442 4.5 50.8 1.0 OH D:TYR112 4.6 43.7 1.0 CE2 D:TYR112 4.6 43.7 1.0 CCE D:759301 4.6 32.6 1.0 CH2 A:TRP374 4.6 40.3 1.0 CG A:GLU438 4.6 52.5 1.0 OBQ D:759301 4.7 51.6 1.0 CG D:ARG69 4.7 59.0 1.0 O D:ARG69 4.8 50.0 1.0 CZ D:TYR112 4.9 44.4 1.0 CA D:ARG69 4.9 51.1 1.0

Chlorine binding site 2 out of 2 in the The Protac MZ1 in Complex with the Second Bromodomain of BRD4 and Pvhl:Elonginc:Elonginb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Protac MZ1 in Complex with the Second Bromodomain of BRD4 and Pvhl:Elonginc:Elonginb within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:51.8 occ:1.00 CL1 H:759301 0.0 51.8 1.0 CBY H:759301 1.8 48.4 1.0 CAN H:759301 2.7 45.8 1.0 CAO H:759301 2.7 45.0 1.0 CBB H:759301 4.0 54.6 1.0 CAR H:759301 4.0 50.4 1.0 CB E:GLU438 4.0 52.2 1.0 CAS H:759301 4.0 56.2 1.0 CB H:ARG69 4.2 52.1 1.0 CZ2 E:TRP374 4.4 45.4 1.0 CG H:ARG69 4.5 58.2 1.0 CCE H:759301 4.6 59.0 1.0 OBQ H:759301 4.6 52.6 1.0 SD E:MET442 4.6 45.9 1.0 CG E:GLU438 4.6 54.4 1.0 CBD H:759301 4.6 43.2 1.0 O H:ARG69 4.6 47.6 1.0 CE2 H:TYR112 4.7 44.5 1.0 CH2 E:TRP374 4.7 47.2 1.0 OH H:TYR112 4.8 40.2 1.0 CA H:ARG69 4.8 49.8 1.0

M.S.Gadd, A.Testa, X.Lucas, K.H.Chan, W.Chen, D.J.Lamont, M.Zengerle, A.Ciulli. Structural Basis of Protac Cooperative Recognition For Selective Protein Degradation. Nat. Chem. Biol. V. 13 514 2017.
ISSN: ESSN 1552-4469
PubMed: 28288108
DOI: 10.1038/NCHEMBIO.2329