1M72

Crystal Structure of Caspase-1 from Spodoptera frugiperda

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004197	molecular_function	cysteine-type endopeptidase activity
A	0005737	cellular_component	cytoplasm
A	0006508	biological_process	proteolysis
A	0006915	biological_process	apoptotic process
A	0008234	molecular_function	cysteine-type peptidase activity
A	0043525	biological_process	positive regulation of neuron apoptotic process
A	0097190	biological_process	apoptotic signaling pathway
A	0097199	molecular_function	cysteine-type endopeptidase activity involved in apoptotic signaling pathway
B	0004197	molecular_function	cysteine-type endopeptidase activity
B	0005737	cellular_component	cytoplasm
B	0006508	biological_process	proteolysis
B	0006915	biological_process	apoptotic process
B	0008234	molecular_function	cysteine-type peptidase activity
B	0043525	biological_process	positive regulation of neuron apoptotic process
B	0097190	biological_process	apoptotic signaling pathway
B	0097199	molecular_function	cysteine-type endopeptidase activity involved in apoptotic signaling pathway
C	0004197	molecular_function	cysteine-type endopeptidase activity
C	0005737	cellular_component	cytoplasm
C	0006508	biological_process	proteolysis
C	0006915	biological_process	apoptotic process
C	0008234	molecular_function	cysteine-type peptidase activity
C	0043525	biological_process	positive regulation of neuron apoptotic process
C	0097190	biological_process	apoptotic signaling pathway
C	0097199	molecular_function	cysteine-type endopeptidase activity involved in apoptotic signaling pathway

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 506

Chain	Residue
A	ASP184
A	THR216
A	VAL217
A	TYR220
A	GLN279
A	VAL280
B	HIS207

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO B 503

Chain	Residue
B	TYR53
B	ASN54
B	HIS57
B	ASP127
B	GLY168
B	LYS169
B	PRO170
B	PRO45
B	VAL46

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 507

Chain	Residue
A	HIS207
B	ASP184
B	THR216
B	VAL217
B	GLN279
B	VAL280

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO C 501

Chain	Residue
C	GLU138
C	GLY140
C	MET141
C	LEU142
C	PRO151
C	CYS178
C	GLN179
C	PHE214

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO C 502

Chain	Residue
C	ASP248
C	ILE249
C	LEU250
C	THR254
C	LEU287
C	ARG289
C	LEU290
C	LEU291

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO C 504

Chain	Residue
C	ASP184
C	HIS207
C	THR216
C	VAL217
C	GLN279
C	VAL280

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 508

Chain	Residue
C	LEU183
C	ASP184
C	GLY185
C	GLY186

---

site_id	AC8
Number of Residues	18
Details	BINDING SITE FOR CHAIN D OF ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE

Chain	Residue
A	LYS77
A	ARG79
A	THR135
A	HIS136
A	GLY137
A	GLN176
A	CYS178
A	PHE221
A	SER222
A	TRP223
A	ARG224
A	ASN225
A	THR226
A	SER266
A	ASN267
A	MET274
B	HIS74
D	HOH1050

---

site_id	AC9
Number of Residues	18
Details	BINDING SITE FOR CHAIN E OF ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE

Chain	Residue
A	HIS74
B	ARG79
B	THR135
B	HIS136
B	GLY137
B	GLN176
B	CYS178
B	PHE221
B	SER222
B	TRP223
B	ARG224
B	ASN225
B	THR226
B	SER266
B	ASN267
B	MET274
E	HOH1013
E	HOH1173

---

site_id	BC1
Number of Residues	17
Details	BINDING SITE FOR CHAIN F OF ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE

Chain	Residue
F	HOH1088
F	HOH1091
C	HIS74
C	ARG79
C	THR135
C	HIS136
C	GLY137
C	GLN176
C	CYS178
C	PHE221
C	SER222
C	TRP223
C	ARG224
C	ASN225
C	THR226
C	SER266
C	ASN267

---

Functional Information from PROSITE/UniProt

site_id	PS01121
Number of Residues	15
Details	CASPASE_HIS Caspase family histidine active site. HsdadCllVaVLTHG

Chain	Residue	Details
A	HIS123-GLY137

---

site_id	PS01122
Number of Residues	12
Details	CASPASE_CYS Caspase family cysteine active site. KPKLFFIQACQG

Chain	Residue	Details
A	LYS169-GLY180

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: ACT_SITE => ECO:0000250

Chain	Residue	Details
A	HIS136
A	CYS178
B	HIS136
B	CYS178
C	HIS136
C	CYS178

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1qx3

Chain	Residue	Details
A	HIS136
A	GLY137
A	CYS178

---

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1qx3

Chain	Residue	Details
B	HIS136
B	GLY137
B	CYS178

---

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1qx3

Chain	Residue	Details
C	HIS136
C	GLY137
C	CYS178

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