5S9P

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue YW4 A 301

Chain	Residue
A	TRP81
A	HOH402
D	GLN78
D	PHE79
D	ASP145
A	PRO82
A	PHE83
A	GLN85
A	PRO86
A	ASP88
A	LEU92
A	ASN140
A	MET149

---

site_id	AC2
Number of Residues	15
Details	binding site for residue YW4 B 301

Chain	Residue
B	TRP81
B	PRO82
B	PHE83
B	GLN85
B	PRO86
B	ASP88
B	LEU92
B	ASN140
B	ILE146
B	HOH401
E	HIS77
E	GLN78
E	PHE79
E	LEU148
E	HOH412

---

site_id	AC3
Number of Residues	10
Details	binding site for residue YW4 D 301

Chain	Residue
D	TRP81
D	PRO82
D	PHE83
D	GLN85
D	PRO86
D	ASP88
D	LEU92
D	ASN140
D	MET149
D	HOH402

---

site_id	AC4
Number of Residues	6
Details	binding site for residue EDO D 302

Chain	Residue
D	ILE100
D	LYS102
D	THR103
D	ASN135
D	HOH411
E	ASN116

---

site_id	AC5
Number of Residues	11
Details	binding site for residue YW4 E 301

Chain	Residue
E	TRP81
E	PRO82
E	PHE83
E	GLN85
E	PRO86
E	ASP88
E	LEU92
E	ASN140
E	ILE146
E	MET149
E	HOH402

---

site_id	AC6
Number of Residues	5
Details	binding site for residue EDO E 302

Chain	Residue
D	HOH410
E	TRP75
E	HIS77
E	GLN84
E	HOH424

---

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	4
Details	SITE: Acetylated histone binding => ECO:0000269|PubMed:22464331

Chain	Residue	Details
B	ASN140
D	ASN140
E	ASN140
A	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
B	LYS99
D	LYS99
E	LYS99
A	LYS99

---