3MXF

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE JQ1 A 1

Chain	Residue
A	PRO53
A	HOH209
A	TRP81
A	PRO82
A	LEU92
A	LYS99
A	ASN140
A	ASP145
A	ILE146
A	MET149

---

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 169

Chain	Residue
A	GLN64

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 170

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

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 2

Chain	Residue
A	PRO142
A	GLY143
A	VAL147
A	GLU151
A	HOH274

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 3

Chain	Residue
A	TYR137
A	ASN140
A	LYS141
A	PRO142
A	LYS160
A	HOH173
A	HOH284

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS A 171

Chain	Residue
A	LYS57
A	ASN116
A	ASN117
A	ASP144
A	ASP145
A	HOH211
A	HOH337

---

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

---