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4OQ5

Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid

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 Residues14
DetailsBINDING SITE FOR RESIDUE 2UU A 401
ChainResidue
APHE228
FALA227
FGLY230
FMET231
FLYS234
F2UU401
AMET231
ALEU235
AMET250
AVAL253
AARG263
ATHR266
ALEU267
APHE270

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 2UU B 401
ChainResidue
BPHE228
BMET231
BLEU235
BARG263
BTHR266
BLEU267
BPHE270
BGLY271
EALA227
EGLY230
ELYS234
E2UU401
EHOH527

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE 2UU C 401
ChainResidue
CPHE228
CMET231
CLEU235
CVAL253
CPHE254
CARG263
CTHR266
CLEU267
CPHE270
CLEU290
DTHR226
DALA227
DGLY230
DMET231
DLYS234

site_idAC4
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 2UU D 401
ChainResidue
CTHR226
CALA227
CLYS234
DPHE228
DMET231
DLEU235
DMET250
DVAL253
DPHE254
DARG263
DTHR266
DLEU267
DPHE270
DLEU290

site_idAC5
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 2UU E 401
ChainResidue
BTHR226
BALA227
BMET231
B2UU401
EPHE228
EMET231
ELYS234
ELEU235
EMET250
EVAL253
EPHE254
EARG263
ETHR266
ELEU267
EPHE270
ELEU290

site_idAC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 2UU F 401
ChainResidue
ATHR226
AALA227
AMET231
A2UU401
AHOH517
FMET231
FLEU235
FMET250
FVAL253
FPHE254
FARG263
FTHR266
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 Residues84
DetailsMotif: {"description":"BH3"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues90
DetailsMotif: {"description":"BH2"}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues18
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)"}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues100
DetailsMotif: {"description":"BH1"}
ChainResidueDetails

246031

PDB entries from 2025-12-10

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