Chlorine in PDB 5lpj: Crystal Structure of the Bromodomain of Human Crebbp Bound to the Inhibitor XDM1

All present enzymatic activity of Crystal Structure of the Bromodomain of Human Crebbp Bound to the Inhibitor XDM1:
2.3.1.48;

The structure of Crystal Structure of the Bromodomain of Human Crebbp Bound to the Inhibitor XDM1, PDB code: 5lpj was solved by M.Huegle, D.Wohlwend, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.04 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.216, 49.246, 80.730, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 19.6

The binding sites of Chlorine atom in the Crystal Structure of the Bromodomain of Human Crebbp Bound to the Inhibitor XDM1 (pdb code 5lpj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Bromodomain of Human Crebbp Bound to the Inhibitor XDM1, PDB code: 5lpj:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Bromodomain of Human Crebbp Bound to the Inhibitor XDM1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Bromodomain of Human Crebbp Bound to the Inhibitor XDM1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:26.3 occ:1.00 CL A:XDM1201 0.0 26.3 1.0 C15 A:XDM1201 1.7 26.1 1.0 C14 A:XDM1201 2.7 31.4 1.0 C16 A:XDM1201 2.7 18.3 1.0 H18 A:XDM1201 2.8 22.0 1.0 H17 A:XDM1201 2.8 37.7 1.0 CG A:PRO1110 3.4 22.8 1.0 CZ A:ARG1173 3.5 30.8 1.0 CB A:ARG1173 3.6 13.6 1.0 NE A:ARG1173 3.6 21.6 1.0 CE2 A:PHE1177 3.6 15.3 1.0 NH1 A:ARG1173 3.6 31.5 1.0 CD A:ARG1173 3.9 20.9 1.0 CD2 A:PHE1177 3.9 15.0 1.0 NH2 A:ARG1173 3.9 34.0 1.0 C13 A:XDM1201 4.0 35.0 1.0 C11 A:XDM1201 4.0 23.6 1.0 CG2 A:VAL1174 4.0 14.7 1.0 CB A:PRO1110 4.3 21.2 1.0 CG A:ARG1173 4.4 14.8 1.0 O A:HOH1401 4.4 34.7 1.0 N A:VAL1174 4.4 15.8 1.0 CD A:PRO1110 4.4 20.5 1.0 C12 A:XDM1201 4.5 31.4 1.0 C A:ARG1173 4.6 15.6 1.0 CZ A:PHE1177 4.6 16.0 1.0 CA A:ARG1173 4.7 13.2 1.0 H16 A:XDM1201 4.8 42.0 1.0 CA A:VAL1174 4.9 13.0 1.0 O A:HOH1433 4.9 30.8 1.0

M.Hugle, X.Lucas, D.Ostrovskyi, P.Regenass, S.Gerhardt, O.Einsle, M.Hau, M.Jung, B.Breit, S.Gunther, D.Wohlwend. Beyond the Bet Family: Targeting Cbp/P300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl. V. 56 12476 2017.
ISSN: ESSN 1521-3773
PubMed: 28766825
DOI: 10.1002/ANIE.201705516