6ULV

BRD4-BD1 in complex with the cyclic peptide 4.2_1

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	binding site for residue IOD A 202

Chain	Residue
A	LYS160
D	GLN127
D	THR134

---

site_id	AC2
Number of Residues	9
Details	binding site for residue B3P A 203

Chain	Residue
A	HOH344
B	GLU151
B	GLU154
A	ASP96
A	ILE138
A	TYR139
A	ASN140
A	HOH303
A	HOH309

---

site_id	AC3
Number of Residues	1
Details	binding site for residue IOD C 201

Chain	Residue
G	TRP4

---

site_id	AC4
Number of Residues	1
Details	binding site for residue IOD D 201

Chain	Residue
E	TRP4

---

site_id	AC5
Number of Residues	7
Details	binding site for residue GOL E 102

Chain	Residue
C	GLN85
C	HOH301
C	HOH302
D	LYS112
E	ASN3
E	LEU7
E	HOH206

---

site_id	AC6
Number of Residues	1
Details	binding site for residue IOD G 101

Chain	Residue
G	TRP1

---

site_id	AC7
Number of Residues	6
Details	binding site for residue GOL G 102

Chain	Residue
C	LYS112
D	GLN85
D	HOH310
G	ALY2
G	ASN3
G	LEU7

---

site_id	AC8
Number of Residues	6
Details	binding site for Di-peptide ACE E 0 and TRP E 1

Chain	Residue
C	GLN85
E	ALY2
E	CYS5
E	TRP6
E	ARG9
E	HOH209

---

site_id	AC9
Number of Residues	10
Details	binding site for Di-peptide ACE E 0 and CYS E 5

Chain	Residue
A	LYS91
A	LEU92
E	TRP1
E	ALY2
E	ASN3
E	TRP4
E	TRP6
E	LEU7
E	ALY8
E	ARG9

---

site_id	AD1
Number of Residues	7
Details	binding site for Di-peptide TRP E 1 and ALY E 2

Chain	Residue
C	GLN85
E	ACE0
E	ASN3
E	TRP4
E	CYS5
E	TRP6
E	HOH209

---

site_id	AD2
Number of Residues	9
Details	binding site for Di-peptide ALY E 2 and ASN E 3

Chain	Residue
C	GLN85
E	ACE0
E	TRP1
E	TRP4
E	CYS5
E	TRP6
E	LEU7
E	GOL102
E	HOH208

---

site_id	AD3
Number of Residues	15
Details	binding site for Di-peptide LEU E 7 and ALY E 8

Chain	Residue
A	TRP81
A	PRO82
A	LEU92
A	ILE146
C	LEU92
E	ASN3
E	TRP4
E	CYS5
E	TRP6
E	ARG9
E	ALY10
E	LEU11
E	LEU12
E	GOL102
E	HOH201

---

site_id	AD4
Number of Residues	18
Details	binding site for Di-peptide ALY E 8 and ARG E 9

Chain	Residue
A	TRP81
A	PRO82
A	LEU92
A	ILE146
A	HOH332
C	TRP81
E	ACE0
E	TRP4
E	CYS5
E	TRP6
E	LEU7
E	ALY10
E	LEU11
E	LEU12
E	LEU13
E	HOH201
E	HOH202
E	HOH204

---

site_id	AD5
Number of Residues	21
Details	binding site for Di-peptide ARG E 9 and ALY E 10

Chain	Residue
C	LEU92
C	ILE146
E	ACE0
E	CYS5
E	TRP6
E	LEU7
E	ALY8
E	LEU11
E	LEU12
E	LEU13
E	ARG14
E	HOH202
E	HOH204
E	HOH205
E	HOH210
A	LEU92
A	HOH332
C	TRP81
C	PRO82
C	PHE83
C	VAL87

---

site_id	AD6
Number of Residues	17
Details	binding site for Di-peptide ALY E 10 and LEU E 11

Chain	Residue
A	PRO82
C	TRP81
C	PRO82
C	PHE83
C	VAL87
C	LEU92
C	ILE146
E	TRP6
E	LEU7
E	ALY8
E	ARG9
E	LEU12
E	LEU13
E	ARG14
E	HOH203
E	HOH205
E	HOH210

---

site_id	AD7
Number of Residues	9
Details	binding site for Di-peptide ARG E 14 and NH2 E 16

Chain	Residue
A	ASP144
A	ASP145
C	LEU94
C	ASN140
E	ALY10
E	LEU11
E	LEU12
E	LEU13
E	HOH205

---

site_id	AD8
Number of Residues	9
Details	binding site for Di-peptide ACE G 0 and CYS G 5

Chain	Residue
B	LEU92
G	TRP1
G	ALY2
G	ASN3
G	TRP4
G	TRP6
G	LEU7
G	ALY8
G	ARG9

---

site_id	AD9
Number of Residues	5
Details	binding site for Di-peptide ACE G 0 and TRP G 1

Chain	Residue
D	GLN85
G	ALY2
G	CYS5
G	ARG9
G	IOD101

---

site_id	AE1
Number of Residues	8
Details	binding site for Di-peptide TRP G 1 and ALY G 2

Chain	Residue
D	GLN85
G	ACE0
G	ASN3
G	TRP4
G	CYS5
G	TRP6
G	IOD101
G	GOL102

---

site_id	AE2
Number of Residues	9
Details	binding site for Di-peptide ALY G 2 and ASN G 3

Chain	Residue
D	GLN85
G	ACE0
G	TRP1
G	TRP4
G	CYS5
G	TRP6
G	LEU7
G	GOL102
G	HOH203

---

site_id	AE3
Number of Residues	16
Details	binding site for Di-peptide LEU G 7 and ALY G 8

Chain	Residue
B	TRP81
B	PRO82
B	VAL87
B	LEU92
B	ILE146
D	LEU92
G	ASN3
G	TRP4
G	CYS5
G	TRP6
G	ARG9
G	ALY10
G	LEU11
G	LEU12
G	GOL102
G	HOH201

---

site_id	AE4
Number of Residues	17
Details	binding site for Di-peptide ALY G 8 and ARG G 9

Chain	Residue
B	PRO82
B	VAL87
B	LEU92
B	ILE146
D	TRP81
G	ACE0
G	TRP4
G	CYS5
G	TRP6
G	LEU7
G	ALY10
G	LEU11
G	LEU12
G	LEU13
G	HOH201
G	HOH202
G	HOH205

---

site_id	AE5
Number of Residues	18
Details	binding site for Di-peptide ARG G 9 and ALY G 10

Chain	Residue
B	LEU92
D	TRP81
D	PRO82
D	VAL87
D	ILE146
D	HOH337
G	ACE0
G	CYS5
G	TRP6
G	LEU7
G	ALY8
G	LEU11
G	LEU12
G	LEU13
G	ARG14
G	HOH202
G	HOH205
G	HOH206

---

site_id	AE6
Number of Residues	14
Details	binding site for Di-peptide ALY G 10 and LEU G 11

Chain	Residue
B	PRO82
D	PRO82
D	VAL87
D	ILE146
D	HOH337
G	TRP6
G	LEU7
G	ALY8
G	ARG9
G	LEU12
G	LEU13
G	ARG14
G	HOH204
G	HOH206

---

site_id	AE7
Number of Residues	8
Details	binding site for Di-peptide ARG G 14 and NH2 G 16

Chain	Residue
B	ASP144
B	ASP145
D	TYR139
D	ASN140
G	ALY10
G	LEU11
G	LEU12
G	LEU13

---

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
A	ASN140
B	ASN140
C	ASN140
D	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
A	LYS99
B	LYS99
C	LYS99
D	LYS99

---