6SE4

Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue EDO A 801

Chain	Residue
A	LYS91
A	ASN93
A	ILE100
A	ILE138
A	HOH904
A	HOH921

---

site_id	AC2
Number of Residues	16
Details	binding site for residue L8W A 802

Chain	Residue
A	LEU92
A	LEU94
A	LYS99
A	TYR139
A	ASN140
A	ASP145
A	ILE146
A	MET149
A	EDO803
A	DMS805
A	HOH916
A	HOH924
A	HOH936
A	PRO53
A	TRP81
A	PRO82

---

site_id	AC3
Number of Residues	4
Details	binding site for residue EDO A 803

Chain	Residue
A	TYR139
A	ASN140
A	L8W802
A	HOH909

---

site_id	AC4
Number of Residues	5
Details	binding site for residue DMS A 804

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

---

site_id	AC5
Number of Residues	3
Details	binding site for residue DMS A 805

Chain	Residue
A	GLN85
A	ASP96
A	L8W802

---

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

---