5S9O
CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue YW1 A 301 |
| Chain | Residue |
| A | TRP97 |
| A | HOH405 |
| B | VAL106 |
| B | LYS107 |
| A | PRO98 |
| A | PHE99 |
| A | GLN101 |
| A | PRO102 |
| A | VAL103 |
| A | ASP104 |
| A | ASN156 |
| A | EDO302 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 302 |
| Chain | Residue |
| A | ASP160 |
| A | ASP161 |
| A | ILE162 |
| A | YW1301 |
| A | EDO303 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | THR159 |
| A | ASP160 |
| A | ASP161 |
| A | EDO302 |
| B | PRO111 |
| B | HOH405 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 304 |
| Chain | Residue |
| A | ARG74 |
| A | GLU184 |
| A | HOH421 |
| B | LEU108 |
| B | GLY109 |
| B | EDO303 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | TYR155 |
| A | ASN156 |
| A | LYS157 |
| A | ASP160 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 306 |
| Chain | Residue |
| A | SER139 |
| A | MET142 |
| A | GLN143 |
| B | LYS171 |
| B | GLN175 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 307 |
| Chain | Residue |
| A | ILE116 |
| A | ILE117 |
| A | LYS118 |
| A | GLN119 |
| A | ASN151 |
| site_id | AC8 |
| Number of Residues | 17 |
| Details | binding site for residue YW1 B 301 |
| Chain | Residue |
| A | HIS71 |
| A | MET72 |
| A | GLN94 |
| A | TRP136 |
| A | GLU140 |
| B | PRO98 |
| B | PHE99 |
| B | GLN101 |
| B | PRO102 |
| B | VAL103 |
| B | ASP104 |
| B | LYS107 |
| B | LEU108 |
| B | LEU110 |
| B | ASN156 |
| B | HOH404 |
| B | HOH429 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 302 |
| Chain | Residue |
| B | ILE116 |
| B | ILE117 |
| B | LYS118 |
| B | GLN119 |
| B | ASN151 |
| B | HOH402 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 303 |
| Chain | Residue |
| A | GLU186 |
| A | EDO304 |
| B | TYR155 |
| B | LYS157 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 304 |
| Chain | Residue |
| A | LYS107 |
| B | LYS176 |
| B | HOH419 |
Functional Information from PROSITE/UniProt
| site_id | PS00633 |
| Number of Residues | 60 |
| Details | BROMODOMAIN_1 Bromodomain signature. AwpFrqpvDavklglpDYHkiIkqpMdmgtIkrrlenny..Ywaasecmqdfnt.MftNCyiY |
| Chain | Residue | Details |
| A | ALA96-TYR155 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI2 |
| Number of Residues | 212 |
| Details | Domain: {"description":"Bromo 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00035","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"37731000","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"8SB6","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20048151","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2DVQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2DVS","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
