6U61

BRD2-BD1 in complex with the cyclic peptide 3.1_3

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN A 201

Chain	Residue
A	HIS83
A	GLU131
B	GLU183
B	HOH326

---

site_id	AC2
Number of Residues	1
Details	binding site for residue ZN A 202

Chain	Residue
A	HIS114

---

site_id	AC3
Number of Residues	5
Details	binding site for residue ZN B 201

Chain	Residue
B	HOH332
B	HIS83
B	GLU131
B	HOH328
B	HOH331

---

site_id	AC4
Number of Residues	7
Details	binding site for Di-peptide ACE D 0 and TRP D 1

Chain	Residue
A	MET142
A	ASN146
B	TRP97
D	TRP2
D	ALY9
D	GLY10
D	CYS11

---

site_id	AC5
Number of Residues	4
Details	binding site for Di-peptide ACE D 0 and CYS D 11

Chain	Residue
B	TRP97
D	TRP1
D	GLY10
D	NH212

---

site_id	AC6
Number of Residues	12
Details	binding site for Di-peptide PRO D 5 and ALY D 6

Chain	Residue
B	PHE99
B	VAL103
B	LEU108
B	ASN156
B	ASP160
B	ASP161
B	ILE162
B	HOH309
D	TRP2
D	ILE4
D	VAL7
D	LYS8

---

site_id	AC7
Number of Residues	11
Details	binding site for Di-peptide ALY D 6 and VAL D 7

Chain	Residue
B	PHE99
B	VAL103
B	ASN156
B	ASP160
B	ASP161
B	ILE162
B	HOH309
D	TRP2
D	ILE4
D	PRO5
D	LYS8

---

site_id	AC8
Number of Residues	9
Details	binding site for Di-peptide LYS D 8 and ALY D 9

Chain	Residue
A	GLN182
B	ASP161
D	TRP1
D	TRP2
D	ILE3
D	ILE4
D	ALY6
D	VAL7
D	GLY10

---

site_id	AC9
Number of Residues	5
Details	binding site for Di-peptide ALY D 9 and GLY D 10

Chain	Residue
B	ASP161
D	TRP1
D	TRP2
D	LYS8
D	CYS11

---

site_id	AD1
Number of Residues	4
Details	binding site for Di-peptide CYS D 11 and NH2 D 12

Chain	Residue
B	TRP97
D	ACE0
D	TRP1
D	GLY10

---

site_id	AD2
Number of Residues	5
Details	binding site for Di-peptide ACE E 0 and CYS E 11

Chain	Residue
A	TRP97
E	TRP1
E	ALY9
E	GLY10
E	NH212

---

site_id	AD3
Number of Residues	6
Details	binding site for Di-peptide ACE E 0 and TRP E 1

Chain	Residue
A	TRP97
E	TRP2
E	ILE3
E	ALY9
E	GLY10
E	CYS11

---

site_id	AD4
Number of Residues	14
Details	binding site for Di-peptide PRO E 5 and ALY E 6

Chain	Residue
A	PHE99
A	VAL103
A	LEU108
A	ASN156
A	ASP160
A	ASP161
A	ILE162
A	HOH306
E	TRP2
E	ILE4
E	VAL7
E	LYS8
E	HOH202
E	HOH203

---

site_id	AD5
Number of Residues	13
Details	binding site for Di-peptide ALY E 6 and VAL E 7

Chain	Residue
E	HOH202
A	PHE99
A	VAL103
A	ASN156
A	LYS157
A	ASP160
A	ASP161
A	ILE162
A	HOH306
E	TRP2
E	ILE4
E	PRO5
E	LYS8

---

site_id	AD6
Number of Residues	14
Details	binding site for Di-peptide LYS E 8 and ALY E 9

Chain	Residue
A	ASP161
A	MET165
A	THR168
A	LYS171
A	GLN175
B	GLY109
E	TRP1
E	TRP2
E	ILE3
E	ILE4
E	ALY6
E	VAL7
E	GLY10
E	CYS11

---

site_id	AD7
Number of Residues	9
Details	binding site for Di-peptide ALY E 9 and GLY E 10

Chain	Residue
A	ASP161
A	MET165
A	THR168
A	LYS171
A	GLN175
E	TRP1
E	TRP2
E	LYS8
E	CYS11

---

site_id	AD8
Number of Residues	6
Details	binding site for Di-peptide CYS E 11 and NH2 E 12

Chain	Residue
A	TRP97
A	ILE172
E	ACE0
E	TRP1
E	ALY9
E	GLY10

---

Functional Information from PROSITE/UniProt

site_id	PS00633
Number of Residues	60
Details	BROMODOMAIN_1 Bromodomain signature. AwpFrqpvDavklglpDYHkiIkqpMdmgtIkrrlenny..Ywaasecmqdfnt.MftNCyiY

Chain	Residue	Details
A	ALA96-TYR155

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:37731000, ECO:0007744|PDB:8SB6

Chain	Residue	Details
A	ASP112
A	TYR155
A	ASN156
A	LYS157
B	ASP112
B	TYR155
B	ASN156
B	LYS157

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:20048151, ECO:0007744|PDB:2DVQ, ECO:0007744|PDB:2DVS

Chain	Residue	Details
A	ASP160
A	ASP161
B	ASP160
B	ASP161

---