6U72

BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for Ligand residues ALY C 12 through GLN C 13 bound to THR C 11

Chain	Residue
A	PHE83
C	HOH201
C	HOH202
C	HOH203
C	HOH204
A	VAL87
A	LEU94
A	ASN140
A	ASP144
A	ASP145
C	THR11
C	CYS14
C	NH2101

---

site_id	AC2
Number of Residues	6
Details	binding site for Di-peptide ACE C 0 and TRP C 1

Chain	Residue
A	LYS141
C	LYS2
C	TRP9
C	ARG10
C	THR11
C	CYS14

---

site_id	AC3
Number of Residues	6
Details	binding site for Di-peptide ACE C 0 and CYS C 14

Chain	Residue
C	TRP1
C	ARG10
C	THR11
C	ALY12
C	GLN13
C	NH2101

---

site_id	AC4
Number of Residues	7
Details	binding site for Di-peptide GLY C 6 and ALY C 7

Chain	Residue
A	ILE100
B	TRP81
C	THR3
C	ILE4
C	ALA5
C	THR8
C	TRP9

---

site_id	AC5
Number of Residues	8
Details	binding site for Di-peptide ALY C 7 and THR C 8

Chain	Residue
A	ILE100
B	TRP81
C	LYS2
C	THR3
C	ILE4
C	ALA5
C	GLY6
C	TRP9

---

site_id	AC6
Number of Residues	6
Details	binding site for Di-peptide NH2 C 101 and CYS C 14

Chain	Residue
C	ACE0
C	TRP1
C	ARG10
C	THR11
C	ALY12
C	GLN13

---

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	2
Details	SITE: Acetylated histone binding => ECO:0000269|PubMed:22464331

Chain	Residue	Details
A	ASN140
B	ASN140

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733

Chain	Residue	Details
A	LYS99
B	LYS99

---