5CRM

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	8
Details	binding site for residue NO3 A 201

Chain	Residue
A	HIS35
A	HIS36
A	HIS37
A	LEU38
A	VAL39
A	GLN123
A	ILE126
A	ASN130

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site_id	AC2
Number of Residues	9
Details	binding site for residue NO3 A 202

Chain	Residue
A	PRO56
A	LYS57
A	TYR98
A	LYS99
A	LYS102
A	ASP145
A	DMS207
A	HOH315
A	LYS55

---

site_id	AC3
Number of Residues	12
Details	binding site for residue EB5 A 203

Chain	Residue
A	TRP81
A	PRO82
A	PHE83
A	VAL87
A	LEU92
A	ASP96
A	TYR97
A	LYS99
A	ASN140
A	HOH314
A	HOH319
A	HOH348

---

site_id	AC4
Number of Residues	7
Details	binding site for residue GOL A 204

Chain	Residue
A	PRO46
A	PRO47
A	ARG58
A	PRO104
A	TRP120
A	ASN121
A	HOH302

---

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 205

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

---

site_id	AC6
Number of Residues	3
Details	binding site for residue DMS A 206

Chain	Residue
A	GLY108
A	LYS112
A	HOH329

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

Chain	Residue
A	GLN59
A	NO3202

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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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