Sodium in PDB 4lys: Crystal Structure of BRD4(1) Bound to Colchiceine

The structure of Crystal Structure of BRD4(1) Bound to Colchiceine, PDB code: 4lys was solved by D.Wohlwend, S.Gerhardt, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.34 / 1.83
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	41.047, 108.072, 30.464, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 26.7

The binding sites of Sodium atom in the Crystal Structure of BRD4(1) Bound to Colchiceine (pdb code 4lys). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of BRD4(1) Bound to Colchiceine, PDB code: 4lys:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of BRD4(1) Bound to Colchiceine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of BRD4(1) Bound to Colchiceine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na201 b:18.4 occ:0.50 O A:HOH302 2.0 15.5 1.0 O6 A:2SJ203 2.2 12.1 1.0 O5 A:2SJ203 2.3 13.7 1.0 C17 A:2SJ203 3.1 12.3 1.0 C16 A:2SJ203 3.1 12.6 1.0 O A:HOH322 4.1 11.7 1.0 C19 A:2SJ203 4.3 12.0 1.0 C15 A:2SJ203 4.4 12.5 1.0 O A:HOH351 4.5 17.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of BRD4(1) Bound to Colchiceine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of BRD4(1) Bound to Colchiceine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:8.0 occ:0.50 O A:HOH365 2.8 16.8 1.0 NE2 A:HIS77 3.5 16.1 1.0 CE1 A:HIS77 3.6 15.3 1.0 CB A:ALA152 3.9 15.2 1.0 CE2 A:PHE79 4.0 17.1 1.0 CD2 A:PHE79 4.4 15.6 1.0 O A:HOH361 4.5 15.2 1.0 OE1 A:GLN78 4.7 19.2 1.0 CD2 A:HIS77 4.8 15.5 1.0 ND1 A:HIS77 4.9 14.2 1.0 CZ A:PHE79 4.9 17.7 1.0

X.Lucas, D.Wohlwend, M.Hugle, K.Schmidtkunz, S.Gerhardt, R.Schule, M.Jung, O.Einsle, S.Gunther. 4-Acyl Pyrroles: Mimicking Acetylated Lysines in Histone Code Reading. Angew.Chem.Int.Ed.Engl. V. 52 14055 2013.
ISSN: ISSN 1433-7851
PubMed: 24272870
DOI: 10.1002/ANIE.201307652