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5CY9

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 Residues9
Detailsbinding site for residue GOL A 201
ChainResidue
AASN52
AGLN85
APRO86
AVAL87
AASP88
ATRP120
AHOH311
AHOH352
AHOH361

site_idAC2
Number of Residues11
Detailsbinding site for residue E0A A 202
ChainResidue
APRO56
ATRP81
APHE83
AVAL87
ALEU92
AASN140
AASP145
AMET149
AHOH305
AHOH316
AHOH385

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 203
ChainResidue
AARG41
AALA89
ALEU94
ATYR97
AHOH388

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 204
ChainResidue
ASER51
AASN52
ALYS57
AASN116
AHOH306

site_idAC5
Number of Residues1
Detailsbinding site for residue EDO A 205
ChainResidue
ALYS111

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

244349

PDB entries from 2025-11-05

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