6KEC
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue D9C A 401 |
| Chain | Residue |
| A | TRP81 |
| A | HOH516 |
| A | HOH535 |
| A | HOH593 |
| A | PRO82 |
| A | VAL87 |
| A | LEU92 |
| A | ASP96 |
| A | LYS99 |
| A | ASN140 |
| A | ILE146 |
| A | FMT404 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue FMT A 402 |
| Chain | Residue |
| A | THR60 |
| A | GLN62 |
| A | ASN121 |
| A | ALA122 |
| A | HOH554 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue FMT A 403 |
| Chain | Residue |
| A | PRO56 |
| A | LYS57 |
| A | LYS99 |
| A | LYS102 |
| A | HOH506 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue FMT A 404 |
| Chain | Residue |
| A | GLN85 |
| A | D9C401 |
| A | HOH509 |
| A | HOH528 |
| A | HOH547 |
| A | HOH587 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue FMT A 405 |
| Chain | Residue |
| A | TYR137 |
| A | GLU163 |
| A | HOH538 |
Functional Information from PROSITE/UniProt
| site_id | PS00633 |
| Number of Residues | 60 |
| Details | BROMODOMAIN_1 Bromodomain signature. AwpFqqpvDavklnlpDYYkiIktpMdmgtIkkrlenny..Ywnaqeciqdfnt.MftNCyiY |
| Chain | Residue | Details |
| A | ALA80-TYR139 | |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 106 |
| Details | Domain: {"description":"Bromo 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00035","evidenceCode":"ECO:0000255"}]} |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Site: {"description":"Acetylated histone binding","evidences":[{"source":"PubMed","id":"22464331","evidenceCode":"ECO:0000269"}]} |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]} |
