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
Chain | Residue | Details |
A | ASN140 | |
B | ASN140 | |
C | ASN140 | |
D | ASN140 | |
site_id | SWS_FT_FI2 |
Number of Residues | 8 |
Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
Chain | Residue | Details |
A | LYS99 | |
B | LYS99 | |
C | LYS99 | |
D | LYS99 | |