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4X2I

Discovery of benzotriazolo diazepines as orally-active inhibitors of BET bromodomains: Crystal structure of BRD4 with CPI-13

Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue FMT A 201
ChainResidue
ATHR60
AGLN62
AASN121
AALA122
AHOH406
AHOH445

site_idAC2
Number of Residues11
Detailsbinding site for residue 3X0 A 202
ChainResidue
ALEU94
ALYS99
ATYR139
AASN140
AASP145
AILE146
AMET149
AHOH404
APRO53
APRO82
ALEU92

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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