5S9R
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | binding site for residue YWA A 301 |
| Chain | Residue |
| A | GLN59 |
| A | HOH402 |
| A | HOH422 |
| A | TRP81 |
| A | PRO82 |
| A | PHE83 |
| A | LEU92 |
| A | LEU94 |
| A | ASN117 |
| A | ASN140 |
| A | MET149 |
| site_id | AC2 |
| Number of Residues | 1 |
| Details | binding site for residue IOD A 302 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | binding site for residue IOD A 303 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue IOD A 304 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | ILE100 |
| A | ILE101 |
| A | LYS102 |
| A | THR103 |
| A | ASN135 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 306 |
| Chain | Residue |
| A | ASN44 |
| A | PRO45 |
| A | PRO46 |
| A | PRO47 |
| A | PRO86 |
| A | VAL87 |
| A | TYR98 |
| A | HOH410 |
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
| Chain | Residue | Details |
| A | ASN140 | |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| A | LYS99 | |
