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6NE5

Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer

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 Residues20
Detailsbinding site for residue KJP A 400
ChainResidue
AHIS224
AVAL258
AASN260
AARG263
ALEU267
APHE270
AGLY271
AILE294
AHOH509
AHOH517
AHOH541
AALA227
CHIS320
APHE228
AMET231
AVAL249
AMET250
AVAL253
APHE254
AASP256

site_idAC2
Number of Residues18
Detailsbinding site for residue KJP B 400
ChainResidue
BALA227
BPHE228
BMET231
BLEU246
BMET250
BVAL253
BPHE254
BVAL258
BASN260
BGLY262
BARG263
BLEU267
BPHE270
BGLY271
BILE294
BHOH507
BHOH515
BHOH518

site_idAC3
Number of Residues18
Detailsbinding site for residue KJP C 400
ChainResidue
CHIS224
CALA227
CPHE228
CMET231
CMET250
CVAL253
CPHE254
CASP256
CVAL258
CASN260
CGLY262
CARG263
CLEU267
CPHE270
CGLY271
CILE294
CHOH514
CHOH529

site_idAC4
Number of Residues16
Detailsbinding site for residue KJP D 400
ChainResidue
DALA227
DPHE228
DMET231
DLEU246
DMET250
DVAL253
DPHE254
DVAL258
DASN260
DGLY262
DARG263
DLEU267
DPHE270
DGLY271
DILE294
DHOH525

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 Residues12
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)
ChainResidueDetails
ALYS194
DLYS194
DLYS197
ALYS197
BLYS194
BLYS197
CLYS194
CLYS197

218853

数据于2024-04-24公开中

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