5S9R

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue YWA A 301

Chain	Residue
A	GLN59
A	HOH402
A	HOH422
A	TRP81
A	PRO82
A	PHE83
A	LEU92
A	LEU94
A	ASN117
A	ASN140
A	MET149

---

site_id	AC2
Number of Residues	1
Details	binding site for residue IOD A 302

Chain	Residue
A	ILE146

---

site_id	AC3
Number of Residues	1
Details	binding site for residue IOD A 303

Chain	Residue
A	GLN59

---

site_id	AC4
Number of Residues	2
Details	binding site for residue IOD A 304

Chain	Residue
A	ASN52
A	ASN54

---

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 305

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

---

site_id	AC6
Number of Residues	8
Details	binding site for residue EDO A 306

Chain	Residue
A	ASN44
A	PRO45
A	PRO46
A	PRO47
A	PRO86
A	VAL87
A	TYR98
A	HOH410

---

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

---

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

---