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6CJ1

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071

Functional Information from PDB Data
site_idAC1
Number of Residues18
Detailsbinding site for residue F2S A 201
ChainResidue
ATRP81
ATYR139
AASN140
AILE146
AFND202
AHOH310
AHOH362
AHOH383
AHOH388
AHOH410
APRO82
APHE83
AGLN85
ALEU92
ALEU94
AASP96
AILE100
ATYR139

site_idAC2
Number of Residues18
Detailsbinding site for residue FND A 202
ChainResidue
ATRP81
APRO82
APHE83
AGLN85
ALEU92
ALEU94
AASP96
AILE100
ATYR139
ATYR139
AASN140
AILE146
AF2S201
AHOH310
AHOH362
AHOH383
AHOH388
AHOH410

site_idAC3
Number of Residues4
Detailsbinding site for residue EDO A 203
ChainResidue
AASP144
AASP145
AHOH313
AHOH382

site_idAC4
Number of Residues7
Detailsbinding site for residue EDO A 204
ChainResidue
AILE100
AILE101
ALYS102
ATHR103
AASN135
AHOH318
AHOH319

site_idAC5
Number of Residues7
Detailsbinding site for residue EDO A 205
ChainResidue
AMET43
AASN52
AGLN62
AALA122
AILE126
AHOH335
AHOH347

site_idAC6
Number of Residues3
Detailsbinding site for residue NO3 A 206
ChainResidue
ATHR60
AASN121
AALA122

site_idAC7
Number of Residues8
Detailsbinding site for residue NO3 A 207
ChainResidue
AGLN78
APHE79
ATRP81
APRO95
AASP96
ALYS99
AMET149
AHOH305

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 Residues1
DetailsSITE: Acetylated histone binding => ECO:0000269|PubMed:22464331
ChainResidueDetails
AASN140

site_idSWS_FT_FI2
Number of Residues2
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS99

221051

PDB entries from 2024-06-12

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