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4HW2

Discovery of potent Mcl-1 inhibitors using fragment-based methods and 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
E0042981biological_processregulation of apoptotic process
F0042981biological_processregulation of apoptotic process
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 19H A 401
ChainResidue
AALA227
AGLY271
AILE294
APHE228
AVAL249
AMET250
AVAL253
APHE254
AARG263
ALEU267
APHE270

site_idAC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE PGE A 402
ChainResidue
AHIS224

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 19H B 401
ChainResidue
BALA227
BPHE228
BMET250
BVAL253
BPHE254
BARG263
BLEU267
BPHE270

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PGE B 402
ChainResidue
BHIS224
BTHR266

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PGE B 403
ChainResidue
BASN223
BHIS224
BGLY262
BPHE318
BPHE318

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 404
ChainResidue
BASN223
BHIS224
BTHR226
BALA227

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 19H C 400
ChainResidue
CALA227
CPHE228
CMET231
CVAL253
CPHE254
CARG263
CLEU267
CPHE270
CGLY271

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 19H D 400
ChainResidue
DPHE228
DMET231
DLEU246
DVAL253
DPHE254
DARG263
DLEU267
DPHE270
DGLY271

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 19H E 400
ChainResidue
EALA227
EMET231
ELEU246
EMET250
EVAL253
EPHE254
EARG263
ELEU267
EPHE270

site_idBC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 19H F 400
ChainResidue
ELYS194
EARG207
FALA227
FPHE228
FMET231
FMET250
FVAL253
FPHE254
FARG263
FLEU267
FPHE270

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 Residues18
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)
ChainResidueDetails
ALYS194
DLYS194
DLYS197
ELYS194
ELYS197
FLYS194
FLYS197
ALYS197
BLYS194
BLYS197
CLYS194
CLYS197

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PDB entries from 2024-04-24

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