3P5O

Crystal Structure of the First Bromodomain of Human Brd4 in complex with IBET inhibitor

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE EAM A 1

Chain	Residue
A	HOH27
A	ASP145
A	ILE146
A	MET149
A	HOH282
A	HOH300
A	PRO53
A	TRP81
A	PRO82
A	PHE83
A	LEU92
A	LEU94
A	LYS99
A	ASN140

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site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO A 169

Chain	Residue
A	HOH32
A	SER42
A	PRO53
A	ASN54
A	PRO56
A	TRP81
A	LYS99
A	HOH207
A	HOH227
A	HOH390

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 2

Chain	Residue
A	GLN123
A	ILE126
A	HOH259
A	HOH264
A	HOH336

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 3

Chain	Residue
A	HOH195
A	HOH244
A	HOH324

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 4

Chain	Residue
A	ILE100
A	ILE101
A	LYS102
A	THR103
A	ASN135
A	HOH239

---

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

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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

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