5EGU
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-Butyl-8-(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-7-ethyl-3,7-dihydropurine-2,6-dione
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue 5NQ A 201 |
| Chain | Residue |
| A | PRO82 |
| A | HOH309 |
| A | HOH312 |
| D | 5NQ201 |
| A | PHE83 |
| A | GLN85 |
| A | PRO86 |
| A | VAL87 |
| A | ASP88 |
| A | LEU92 |
| A | LEU94 |
| A | ASN140 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 202 |
| Chain | Residue |
| A | PRO86 |
| A | LYS112 |
| A | HOH310 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | binding site for residue 5NQ B 201 |
| Chain | Residue |
| B | PRO82 |
| B | PHE83 |
| B | GLN85 |
| B | VAL87 |
| B | ASP88 |
| B | LEU92 |
| B | LEU94 |
| B | ASN140 |
| B | HOH306 |
| B | HOH313 |
| B | HOH324 |
| C | LYS91 |
| C | MET149 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | binding site for residue 5NQ C 201 |
| Chain | Residue |
| B | TRP81 |
| B | MET149 |
| C | PRO82 |
| C | PHE83 |
| C | GLN85 |
| C | VAL87 |
| C | ASP88 |
| C | LYS91 |
| C | LEU92 |
| C | LEU94 |
| C | ASN140 |
| C | ILE146 |
| C | HOH311 |
| site_id | AC5 |
| Number of Residues | 12 |
| Details | binding site for residue 5NQ D 201 |
| Chain | Residue |
| A | MET149 |
| A | 5NQ201 |
| D | PRO82 |
| D | PHE83 |
| D | GLN85 |
| D | VAL87 |
| D | ASP88 |
| D | LEU92 |
| D | LEU94 |
| D | ASN140 |
| D | HOH306 |
| D | HOH320 |
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 | 318 |
| Details | Domain: {"description":"Bromo 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00035","evidenceCode":"ECO:0000255"}]} |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Site: {"description":"Acetylated histone binding","evidences":[{"source":"PubMed","id":"22464331","evidenceCode":"ECO:0000269"}]} |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]} |
