5D0C

Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue NO3 A 201

Chain	Residue
A	ASP144
A	ASP145
A	ILE146
A	E0B206
A	HOH353
A	HOH360

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site_id	AC2
Number of Residues	8
Details	binding site for residue NO3 A 202

Chain	Residue
A	PRO95
A	ASP96
A	TYR97
A	TYR98
A	LYS99
A	GLY42
A	SER43
A	ALA89

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site_id	AC3
Number of Residues	5
Details	binding site for residue NO3 A 203

Chain	Residue
A	THR60
A	GLN62
A	LEU63
A	ASN121
A	ALA122

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site_id	AC4
Number of Residues	6
Details	binding site for residue EDO A 204

Chain	Residue
A	PRO86
A	ASP106
A	GLY108
A	THR109
A	LYS112
A	HOH313

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site_id	AC5
Number of Residues	6
Details	binding site for residue EDO A 205

Chain	Residue
A	TRP81
A	PRO82
A	GLN85
A	LEU92
A	HOH334
A	HOH357

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site_id	AC6
Number of Residues	11
Details	binding site for residue E0B A 206

Chain	Residue
A	TRP81
A	PRO82
A	PHE83
A	VAL87
A	LEU92
A	ASN140
A	MET149
A	NO3201
A	HOH303
A	HOH306
A	HOH353

---

site_id	AC7
Number of Residues	2
Details	binding site for residue GOL A 207

Chain	Residue
A	PRO104
A	HOH315

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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

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	SITE: Acetylated histone binding => ECO:0000269|PubMed:22464331

Chain	Residue	Details
A	ASN140

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site_id	SWS_FT_FI2
Number of Residues	2
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733

Chain	Residue	Details
A	LYS99

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