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5CRM

Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand

Functional Information from PDB Data
site_idAC1
Number of Residues8
Detailsbinding site for residue NO3 A 201
ChainResidue
AHIS35
AHIS36
AHIS37
ALEU38
AVAL39
AGLN123
AILE126
AASN130

site_idAC2
Number of Residues9
Detailsbinding site for residue NO3 A 202
ChainResidue
APRO56
ALYS57
ATYR98
ALYS99
ALYS102
AASP145
ADMS207
AHOH315
ALYS55

site_idAC3
Number of Residues12
Detailsbinding site for residue EB5 A 203
ChainResidue
ATRP81
APRO82
APHE83
AVAL87
ALEU92
AASP96
ATYR97
ALYS99
AASN140
AHOH314
AHOH319
AHOH348

site_idAC4
Number of Residues7
Detailsbinding site for residue GOL A 204
ChainResidue
APRO46
APRO47
AARG58
APRO104
ATRP120
AASN121
AHOH302

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

site_idAC6
Number of Residues3
Detailsbinding site for residue DMS A 206
ChainResidue
AGLY108
ALYS112
AHOH329

site_idAC7
Number of Residues2
Detailsbinding site for residue DMS A 207
ChainResidue
AGLN59
ANO3202

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 Residues106
DetailsDomain: {"description":"Bromo 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00035","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsSite: {"description":"Acetylated histone binding","evidences":[{"source":"PubMed","id":"22464331","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

242842

PDB entries from 2025-10-08

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