1F1J

CRYSTAL STRUCTURE OF CASPASE-7 IN COMPLEX WITH ACETYL-ASP-GLU-VAL-ASP-CHO

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003723	molecular_function	RNA binding
A	0003824	molecular_function	catalytic activity
A	0004190	molecular_function	aspartic-type endopeptidase activity
A	0004197	molecular_function	cysteine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0005634	cellular_component	nucleus
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006508	biological_process	proteolysis
A	0006915	biological_process	apoptotic process
A	0008233	molecular_function	peptidase activity
A	0008234	molecular_function	cysteine-type peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0030163	biological_process	protein catabolic process
A	0043525	biological_process	positive regulation of neuron apoptotic process
A	0051146	biological_process	striated muscle cell differentiation
A	0051604	biological_process	protein maturation
A	0070227	biological_process	lymphocyte apoptotic process
A	0071222	biological_process	cellular response to lipopolysaccharide
A	0071887	biological_process	leukocyte apoptotic process
A	0072734	biological_process	cellular response to staurosporine
A	0097194	biological_process	execution phase of apoptosis
B	0003723	molecular_function	RNA binding
B	0003824	molecular_function	catalytic activity
B	0004190	molecular_function	aspartic-type endopeptidase activity
B	0004197	molecular_function	cysteine-type endopeptidase activity
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005615	cellular_component	extracellular space
B	0005634	cellular_component	nucleus
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006508	biological_process	proteolysis
B	0006915	biological_process	apoptotic process
B	0008233	molecular_function	peptidase activity
B	0008234	molecular_function	cysteine-type peptidase activity
B	0016787	molecular_function	hydrolase activity
B	0030163	biological_process	protein catabolic process
B	0043525	biological_process	positive regulation of neuron apoptotic process
B	0051146	biological_process	striated muscle cell differentiation
B	0051604	biological_process	protein maturation
B	0070227	biological_process	lymphocyte apoptotic process
B	0071222	biological_process	cellular response to lipopolysaccharide
B	0071887	biological_process	leukocyte apoptotic process
B	0072734	biological_process	cellular response to staurosporine
B	0097194	biological_process	execution phase of apoptosis

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 1201

Chain	Residue
A	LYS76
A	ASN88
A	GLY89
A	THR90
A	ASP91
A	LYS92
A	HOH1136

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 B 1202

Chain	Residue
B	THR390
B	ASP391
B	LYS392
B	LYS399
B	HOH775
B	LYS376
B	GLY389

---

site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR CHAIN C OF ACE-ASP-GLU-VAL-ASP-CHO

Chain	Residue
A	ARG87
A	ASN88
A	SER143
A	HIS144
A	GLY145
A	GLN184
A	CYS186
A	TYR230
A	SER231
A	TRP232
A	ARG233
A	SER234
A	PRO235
A	SER275
A	GLN276
C	HOH921
C	HOH1130

---

site_id	AC4
Number of Residues	16
Details	BINDING SITE FOR CHAIN D OF ACE-ASP-GLU-VAL-ASP-CHO

Chain	Residue
B	ARG387
B	HIS444
B	GLY445
B	GLN484
B	CYS486
B	SER531
B	TRP532
B	ARG533
B	SER534
B	PRO535
B	SER575
B	GLN576
B	HOH920
D	HOH807
D	HOH808
D	HOH809

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	HIS131-GLY145

---

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

Chain	Residue	Details
A	LYS177-GLY188

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	22
Details	Region: {"description":"Loop L1","evidences":[{"source":"PubMed","id":"23897474","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	18
Details	Region: {"description":"Loop L2","evidences":[{"source":"PubMed","id":"23897474","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	24
Details	Region: {"description":"Loop L3","evidences":[{"source":"PubMed","id":"23897474","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	28
Details	Region: {"description":"Loop L4","evidences":[{"source":"PubMed","id":"23897474","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"15314233","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"11701129","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15314233","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16916640","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	Site: {"description":"Involved in allosteric regulation","evidences":[{"source":"PubMed","id":"15314233","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19581639","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine; by PAK2","evidences":[{"source":"PubMed","id":"21555521","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27889207","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Modified residue: {"description":"(Microbial infection) ADP-riboxanated arginine","evidences":[{"source":"PubMed","id":"35338844","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"35446120","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine; by PAK2","evidences":[{"source":"PubMed","id":"21555521","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27889207","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	CYS186
A	GLY145
A	HIS144

---

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

Chain	Residue	Details
B	GLY445
B	HIS444
B	CYS486

---