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5IEZ

Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design

Functional Information from GO Data
ChainGOidnamespacecontents
A0042981biological_processregulation of apoptotic process
B0042981biological_processregulation of apoptotic process
C0042981biological_processregulation of apoptotic process
D0042981biological_processregulation of apoptotic process
Functional Information from PDB Data
site_idAC1
Number of Residues15
Detailsbinding site for residue 6AL A 400
ChainResidue
AHIS224
AARG263
ATHR266
ALEU267
APHE270
AGLY271
AHOH507
AALA227
APHE228
AMET231
AVAL249
AMET250
APHE254
AGLY257
AVAL258

site_idAC2
Number of Residues12
Detailsbinding site for residue 6AL B 400
ChainResidue
BHIS224
BALA227
BPHE228
BMET231
BMET250
BPHE254
BASN260
BARG263
BTHR266
BLEU267
BPHE270
BGLY271

site_idAC3
Number of Residues14
Detailsbinding site for residue 6AL C 400
ChainResidue
CHIS224
CALA227
CPHE228
CMET231
CLEU246
CMET250
CVAL253
CPHE254
CASN260
CARG263
CTHR266
CLEU267
CPHE270
CGLY271

site_idAC4
Number of Residues14
Detailsbinding site for residue 6AL D 400
ChainResidue
DHIS224
DALA227
DPHE228
DMET231
DLEU246
DVAL249
DMET250
DPHE254
DASN260
DARG263
DTHR266
DLEU267
DPHE270
DGLY271

Functional Information from PROSITE/UniProt
site_idPS01080
Number of Residues20
DetailsBH1 Apoptosis regulator, Bcl-2 family BH1 motif signature. VFsDGvtNWGRIVTLIsFGA
ChainResidueDetails
AVAL253-ALA272

site_idPS01258
Number of Residues12
DetailsBH2 Apoptosis regulator, Bcl-2 family BH2 motif signature. WLvkqRGWDgFV
ChainResidueDetails
ATRP305-VAL316

site_idPS01259
Number of Residues15
DetailsBH3 Apoptosis regulator, Bcl-2 family BH3 motif signature. AletLRrVGDGVQRN
ChainResidueDetails
AALA209-ASN223

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues56
DetailsMotif: {"description":"BH3"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues80
DetailsMotif: {"description":"BH1"}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues60
DetailsMotif: {"description":"BH2"}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues11
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)"}
ChainResidueDetails

251801

PDB entries from 2026-04-08

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