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5KU3

BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)

Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue EDO A 201
ChainResidue
ATYR65
AARG68
ALYS72
AHOH346
AHOH387
AHOH406

site_idAC2
Number of Residues6
Detailsbinding site for residue EDO A 202
ChainResidue
ATYR139
AASP145
AHOH366
ALEU71
ALYS76
AASP96

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 203
ChainResidue
APRO86
AASP88
ALEU92
ADMS208
A6XH211
AHOH302
AHOH351

site_idAC4
Number of Residues7
Detailsbinding site for residue EDO A 204
ChainResidue
AGLN85
APRO86
AGLY108
ATHR109
ALYS112
AHOH318
AHOH427

site_idAC5
Number of Residues8
Detailsbinding site for residue EDO A 205
ChainResidue
AGLN64
AILE100
AILE101
ALYS102
ATHR103
AASN135
AILE138
AHOH355

site_idAC6
Number of Residues6
Detailsbinding site for residue EDO A 206
ChainResidue
AASN52
AASN54
AGLN62
ALEU164
APRO165
AHOH356

site_idAC7
Number of Residues8
Detailsbinding site for residue DMS A 207
ChainResidue
APHE79
AASN93
AASP145
ALEU148
AMET149
AHOH310
AHOH388
AHOH497

site_idAC8
Number of Residues2
Detailsbinding site for residue DMS A 208
ChainResidue
AEDO203
A6XH211

site_idAC9
Number of Residues8
Detailsbinding site for residue GOL A 209
ChainResidue
AASP144
AASP144
AASP145
AASP145
AILE146
AILE146
A6XH211
A6XH211

site_idAD1
Number of Residues11
Detailsbinding site for residue PEG A 210
ChainResidue
APRO48
AGLU49
AARG113
AASP128
AHOH301
AHOH305
AHOH315
AHOH324
AHOH338
AHOH396
AHOH442

site_idAD2
Number of Residues13
Detailsbinding site for residue 6XH A 211
ChainResidue
ATRP81
ATRP81
APRO82
ALEU92
ATYR139
AASN140
AILE146
AEDO203
ADMS208
AGOL209
AGOL209
AHOH309
AHOH376

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

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PDB entries from 2024-07-24

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