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4EHA

Allosteric Modulation of Caspase-3 through Mutagenesis

Functional Information from GO Data
ChainGOidnamespacecontents
A0001554biological_processluteolysis
A0001666biological_processresponse to hypoxia
A0001782biological_processB cell homeostasis
A0001818biological_processnegative regulation of cytokine production
A0002020molecular_functionprotease binding
A0004175molecular_functionendopeptidase activity
A0004190molecular_functionaspartic-type endopeptidase activity
A0004197molecular_functioncysteine-type endopeptidase activity
A0004861molecular_functioncyclin-dependent protein serine/threonine kinase inhibitor activity
A0005123molecular_functiondeath receptor binding
A0005515molecular_functionprotein binding
A0005634cellular_componentnucleus
A0005654cellular_componentnucleoplasm
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006508biological_processproteolysis
A0006915biological_processapoptotic process
A0006974biological_processDNA damage response
A0007413biological_processaxonal fasciculation
A0007507biological_processheart development
A0007605biological_processsensory perception of sound
A0007611biological_processlearning or memory
A0008047molecular_functionenzyme activator activity
A0008233molecular_functionpeptidase activity
A0008234molecular_functioncysteine-type peptidase activity
A0008627biological_processintrinsic apoptotic signaling pathway in response to osmotic stress
A0009410biological_processresponse to xenobiotic stimulus
A0009411biological_processresponse to UV
A0009611biological_processresponse to wounding
A0009749biological_processresponse to glucose
A0010033biological_processobsolete response to organic substance
A0010038biological_processresponse to metal ion
A0010165biological_processresponse to X-ray
A0014070biological_processresponse to organic cyclic compound
A0016005molecular_functionphospholipase A2 activator activity
A0016241biological_processregulation of macroautophagy
A0016485biological_processprotein processing
A0021766biological_processhippocampus development
A0030163biological_processprotein catabolic process
A0030182biological_processneuron differentiation
A0030216biological_processkeratinocyte differentiation
A0030218biological_processerythrocyte differentiation
A0030220biological_processplatelet formation
A0030889biological_processnegative regulation of B cell proliferation
A0031264cellular_componentdeath-inducing signaling complex
A0031647biological_processregulation of protein stability
A0032025biological_processresponse to cobalt ion
A0032355biological_processresponse to estradiol
A0032496biological_processresponse to lipopolysaccharide
A0034349biological_processglial cell apoptotic process
A0034612biological_processresponse to tumor necrosis factor
A0035094biological_processresponse to nicotine
A0035556biological_processintracellular signal transduction
A0042542biological_processresponse to hydrogen peroxide
A0043025cellular_componentneuronal cell body
A0043029biological_processT cell homeostasis
A0043065biological_processpositive regulation of apoptotic process
A0043200biological_processresponse to amino acid
A0043525biological_processpositive regulation of neuron apoptotic process
A0044346biological_processfibroblast apoptotic process
A0044877molecular_functionprotein-containing complex binding
A0045165biological_processcell fate commitment
A0045786biological_processnegative regulation of cell cycle
A0046007biological_processnegative regulation of activated T cell proliferation
A0048011biological_processneurotrophin TRK receptor signaling pathway
A0051146biological_processstriated muscle cell differentiation
A0051384biological_processresponse to glucocorticoid
A0051402biological_processneuron apoptotic process
A0051604biological_processprotein maturation
A0061713biological_processanterior neural tube closure
A0070269biological_processpyroptotic inflammatory response
A0071310biological_processobsolete cellular response to organic substance
A0071407biological_processcellular response to organic cyclic compound
A0071887biological_processleukocyte apoptotic process
A0072734biological_processcellular response to staurosporine
A0097153molecular_functioncysteine-type endopeptidase activity involved in apoptotic process
A0097190biological_processapoptotic signaling pathway
A0097193biological_processintrinsic apoptotic signaling pathway
A0097194biological_processexecution phase of apoptosis
A0097199molecular_functioncysteine-type endopeptidase activity involved in apoptotic signaling pathway
A0097200molecular_functioncysteine-type endopeptidase activity involved in execution phase of apoptosis
A0140639biological_processpositive regulation of pyroptotic inflammatory response
A1902004biological_processpositive regulation of amyloid-beta formation
A1904019biological_processepithelial cell apoptotic process
C0001554biological_processluteolysis
C0001666biological_processresponse to hypoxia
C0001782biological_processB cell homeostasis
C0001818biological_processnegative regulation of cytokine production
C0002020molecular_functionprotease binding
C0004175molecular_functionendopeptidase activity
C0004190molecular_functionaspartic-type endopeptidase activity
C0004197molecular_functioncysteine-type endopeptidase activity
C0004861molecular_functioncyclin-dependent protein serine/threonine kinase inhibitor activity
C0005123molecular_functiondeath receptor binding
C0005515molecular_functionprotein binding
C0005634cellular_componentnucleus
C0005654cellular_componentnucleoplasm
C0005737cellular_componentcytoplasm
C0005829cellular_componentcytosol
C0006508biological_processproteolysis
C0006915biological_processapoptotic process
C0006974biological_processDNA damage response
C0007413biological_processaxonal fasciculation
C0007507biological_processheart development
C0007605biological_processsensory perception of sound
C0007611biological_processlearning or memory
C0008047molecular_functionenzyme activator activity
C0008233molecular_functionpeptidase activity
C0008234molecular_functioncysteine-type peptidase activity
C0008627biological_processintrinsic apoptotic signaling pathway in response to osmotic stress
C0009410biological_processresponse to xenobiotic stimulus
C0009411biological_processresponse to UV
C0009611biological_processresponse to wounding
C0009749biological_processresponse to glucose
C0010033biological_processobsolete response to organic substance
C0010038biological_processresponse to metal ion
C0010165biological_processresponse to X-ray
C0014070biological_processresponse to organic cyclic compound
C0016005molecular_functionphospholipase A2 activator activity
C0016241biological_processregulation of macroautophagy
C0016485biological_processprotein processing
C0021766biological_processhippocampus development
C0030163biological_processprotein catabolic process
C0030182biological_processneuron differentiation
C0030216biological_processkeratinocyte differentiation
C0030218biological_processerythrocyte differentiation
C0030220biological_processplatelet formation
C0030889biological_processnegative regulation of B cell proliferation
C0031264cellular_componentdeath-inducing signaling complex
C0031647biological_processregulation of protein stability
C0032025biological_processresponse to cobalt ion
C0032355biological_processresponse to estradiol
C0032496biological_processresponse to lipopolysaccharide
C0034349biological_processglial cell apoptotic process
C0034612biological_processresponse to tumor necrosis factor
C0035094biological_processresponse to nicotine
C0035556biological_processintracellular signal transduction
C0042542biological_processresponse to hydrogen peroxide
C0043025cellular_componentneuronal cell body
C0043029biological_processT cell homeostasis
C0043065biological_processpositive regulation of apoptotic process
C0043200biological_processresponse to amino acid
C0043525biological_processpositive regulation of neuron apoptotic process
C0044346biological_processfibroblast apoptotic process
C0044877molecular_functionprotein-containing complex binding
C0045165biological_processcell fate commitment
C0045786biological_processnegative regulation of cell cycle
C0046007biological_processnegative regulation of activated T cell proliferation
C0048011biological_processneurotrophin TRK receptor signaling pathway
C0051146biological_processstriated muscle cell differentiation
C0051384biological_processresponse to glucocorticoid
C0051402biological_processneuron apoptotic process
C0051604biological_processprotein maturation
C0061713biological_processanterior neural tube closure
C0070269biological_processpyroptotic inflammatory response
C0071310biological_processobsolete cellular response to organic substance
C0071407biological_processcellular response to organic cyclic compound
C0071887biological_processleukocyte apoptotic process
C0072734biological_processcellular response to staurosporine
C0097153molecular_functioncysteine-type endopeptidase activity involved in apoptotic process
C0097190biological_processapoptotic signaling pathway
C0097193biological_processintrinsic apoptotic signaling pathway
C0097194biological_processexecution phase of apoptosis
C0097199molecular_functioncysteine-type endopeptidase activity involved in apoptotic signaling pathway
C0097200molecular_functioncysteine-type endopeptidase activity involved in execution phase of apoptosis
C0140639biological_processpositive regulation of pyroptotic inflammatory response
C1902004biological_processpositive regulation of amyloid-beta formation
C1904019biological_processepithelial cell apoptotic process
Functional Information from PDB Data
site_idAC1
Number of Residues23
DetailsBINDING SITE FOR CHAIN B OF ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR
ChainResidue
BHOH101
CCYS163
CTYR204
CSER205
CTRP206
CARG207
CASN208
CSER209
CTRP214
CSER249
CPHE250
BHOH102
CHOH337
CHOH350
CHOH415
CHOH471
BHOH103
BHOH104
BHOH105
CARG64
CHIS121
CGLY122
CGLN161

site_idAC2
Number of Residues25
DetailsBINDING SITE FOR CHAIN F OF ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR
ChainResidue
ASER58
AARG64
AHIS121
AGLY122
AGLN161
ACYS163
ATYR204
ASER205
ATRP206
AARG207
AASN208
ASER209
ATRP214
ASER249
APHE250
AHOH354
AHOH411
AHOH457
AHOH482
FHOH102
FHOH103
FHOH104
FHOH106
FHOH107
FHOH110

Functional Information from PROSITE/UniProt
site_idPS01121
Number of Residues15
DetailsCASPASE_HIS Caspase family histidine active site. HskrsSfvCvLLSHG
ChainResidueDetails
AHIS108-GLY122

site_idPS01122
Number of Residues12
DetailsCASPASE_CYS Caspase family cysteine active site. KPKLFIIQACRG
ChainResidueDetails
ALYS154-GLY165

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000250|UniProtKB:P29466
ChainResidueDetails
AHIS121
ACYS163
CHIS121
CCYS163

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: N-acetylmethionine => ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895
ChainResidueDetails
AMET1
CMET1

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P70677
ChainResidueDetails
ALYS11
CLYS11

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER26
CSER26

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: S-nitrosocysteine; in inhibited form => ECO:0000269|PubMed:10213689
ChainResidueDetails
ACYS163
CCYS163

site_idSWS_FT_FI6
Number of Residues2
DetailsMOD_RES: (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120, ECO:0000269|PubMed:36423631
ChainResidueDetails
AARG207
CARG207

Catalytic Information from CSA
site_idMCSA1
Number of Residues5
DetailsM-CSA 815
ChainResidueDetails
ATHR62electrostatic stabiliser
ASER63electrostatic stabiliser
AHIS121electrostatic stabiliser, proton acceptor, proton donor
AGLY122electrostatic stabiliser
ACYS163electrostatic stabiliser

site_idMCSA2
Number of Residues5
DetailsM-CSA 815
ChainResidueDetails
CTHR62electrostatic stabiliser
CSER63electrostatic stabiliser
CHIS121electrostatic stabiliser, proton acceptor, proton donor
CGLY122electrostatic stabiliser
CCYS163electrostatic stabiliser

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PDB entries from 2024-07-31

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