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6Q3Y

Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i

Functional Information from PDB Data
site_idAC1
Number of Residues7
Detailsbinding site for residue EDO A 201
ChainResidue
AILE100
AILE101
ALYS102
ATHR103
AASN135
AHOH312
AHOH431

site_idAC2
Number of Residues14
Detailsbinding site for residue HG5 A 202
ChainResidue
AGLN85
AVAL87
ALEU92
ALEU94
ATYR139
AASN140
AILE146
AHOH313
AHOH322
AHOH336
AHOH348
AHOH406
ATRP81
APRO82

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 203
ChainResidue
ATHR103
APRO104
AMET105
AHOH378
AHOH389
BARG58

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 204
ChainResidue
APRO86
AASP88
ALYS91
ALEU92
AHOH348

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 205
ChainResidue
ALYS155
AGLN159
AHOH304
AHOH316
AHOH339
AHOH401

site_idAC6
Number of Residues4
Detailsbinding site for residue EDO A 206
ChainResidue
ALYS72
ALEU148
AGLU151
AHOH331

site_idAC7
Number of Residues5
Detailsbinding site for residue EDO B 201
ChainResidue
BILE100
BILE101
BLYS102
BTHR103
BASN135

site_idAC8
Number of Residues8
Detailsbinding site for residue EDO B 202
ChainResidue
BLYS111
BLYS112
BGLU115
BILE138
BTYR139
BASN140
BLYS141
BHOH357

site_idAC9
Number of Residues7
Detailsbinding site for residue EDO B 203
ChainResidue
AHOH347
BPRO86
BASP88
BLYS91
BHG5204
BHOH312
BHOH315

site_idAD1
Number of Residues15
Detailsbinding site for residue HG5 B 204
ChainResidue
AGLN78
APHE79
AASP145
ALEU148
AMET149
BTRP81
BPRO82
BGLN85
BLEU94
BASN140
BASP145
BEDO203
BHOH312
BHOH317
BHOH340

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 Residues2
DetailsSITE: Acetylated histone binding => ECO:0000269|PubMed:22464331
ChainResidueDetails
AASN140
BASN140

site_idSWS_FT_FI2
Number of Residues4
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS99
BLYS99

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PDB entries from 2024-07-17

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