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4WIV

Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE)

Functional Information from PDB Data
site_idAC1
Number of Residues13
Detailsbinding site for residue 3P2 A 201
ChainResidue
ALYS57
AEDO202
AHOH335
AHOH377
AHOH394
ATRP81
APHE83
AVAL87
ALEU92
ALEU94
AASN116
AASN140
AILE146

site_idAC2
Number of Residues8
Detailsbinding site for residue EDO A 202
ChainResidue
ASER51
AASN52
APRO53
ALYS55
ALYS57
ATYR118
A3P2201
AHOH376

site_idAC3
Number of Residues4
Detailsbinding site for residue EDO A 203
ChainResidue
APRO86
AGLY108
ATHR109
AHOH422

site_idAC4
Number of Residues6
Detailsbinding site for residue GOL A 204
ChainResidue
ATHR50
ASER51
APHE79
AASN116
AASP145
AHOH319

site_idAC5
Number of Residues5
Detailsbinding site for residue GOL A 205
ChainResidue
AILE100
AILE101
ALYS102
ATHR103
AASN135

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

222036

PDB entries from 2024-07-03

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