4J0S

Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 201

Chain	Residue
A	GLN85
A	LYS91
A	ASP96
A	HOH335
A	HOH338

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 202

Chain	Residue
A	ASN162
A	HOH372
A	HOH402
A	SER42
A	ALA89
A	VAL90
A	PRO95

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 203

Chain	Residue
A	ILE100
A	ILE101
A	LYS102
A	THR103
A	ASN135

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO A 204

Chain	Residue
A	SER42
A	PRO53
A	ASN54
A	TRP81
A	LYS99
A	MET149
A	HOH343
A	HOH356
A	HOH381

---

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 1H3 A 205

Chain	Residue
A	TRP81
A	PRO82
A	PHE83
A	LEU92
A	LEU94
A	LYS99
A	ASN140
A	MET149
A	HOH302
A	HOH311
A	HOH338
A	HOH423

---

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"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Site: {"description":"Acetylated histone binding","evidences":[{"source":"PubMed","id":"22464331","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

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"}]}

Chain

Residue

Details

---