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5D0C

Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand

Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue NO3 A 201
ChainResidue
AASP144
AASP145
AILE146
AE0B206
AHOH353
AHOH360

site_idAC2
Number of Residues8
Detailsbinding site for residue NO3 A 202
ChainResidue
APRO95
AASP96
ATYR97
ATYR98
ALYS99
AGLY42
ASER43
AALA89

site_idAC3
Number of Residues5
Detailsbinding site for residue NO3 A 203
ChainResidue
ATHR60
AGLN62
ALEU63
AASN121
AALA122

site_idAC4
Number of Residues6
Detailsbinding site for residue EDO A 204
ChainResidue
APRO86
AASP106
AGLY108
ATHR109
ALYS112
AHOH313

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 205
ChainResidue
ATRP81
APRO82
AGLN85
ALEU92
AHOH334
AHOH357

site_idAC6
Number of Residues11
Detailsbinding site for residue E0B A 206
ChainResidue
ATRP81
APRO82
APHE83
AVAL87
ALEU92
AASN140
AMET149
ANO3201
AHOH303
AHOH306
AHOH353

site_idAC7
Number of Residues2
Detailsbinding site for residue GOL A 207
ChainResidue
APRO104
AHOH315

Functional Information from PROSITE/UniProt
site_idPS00633
Number of Residues60
DetailsBROMODOMAIN_1 Bromodomain signature. AwpFqqpvDavklnlpDYYkiIktpMdmgtIkkrlenny..Ywnaqeciqdfnt.MftNCyiY
ChainResidueDetails
AALA80-TYR139

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues106
DetailsDomain: {"description":"Bromo 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00035","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsSite: {"description":"Acetylated histone binding","evidences":[{"source":"PubMed","id":"22464331","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

239803

PDB entries from 2025-08-06

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