4FEA

Crystal structure of CASPASE-7 in Complex with allosteric inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004197	molecular_function	cysteine-type endopeptidase activity
A	0006508	biological_process	proteolysis
A	0008234	molecular_function	cysteine-type peptidase activity
B	0004197	molecular_function	cysteine-type endopeptidase activity
B	0006508	biological_process	proteolysis
B	0008234	molecular_function	cysteine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 0TE A 701

Chain	Residue
A	CYS290
B	GLU216
B	PHE221
B	MET294
B	0TE701

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 0TE B 701

Chain	Residue
B	CYS290
A	GLU216
A	VAL292
A	MET294
A	0TE701

---

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	2
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:15314233

Chain	Residue	Details
A	HIS144
B	HIS144

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:11701129, ECO:0000269|PubMed:15314233, ECO:0000269|PubMed:16916640

Chain	Residue	Details
A	CYS186
B	CYS186

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	SITE: Involved in allosteric regulation => ECO:0000269|PubMed:15314233, ECO:0000269|PubMed:19581639

Chain	Residue	Details
A	ARG187
A	TYR223
B	ARG187
B	TYR223

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphothreonine; by PAK2 => ECO:0000269|PubMed:21555521, ECO:0000269|PubMed:27889207

Chain	Residue	Details
A	THR173
B	THR173

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120

Chain	Residue	Details
A	ARG233
B	ARG233

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	MOD_RES: Phosphoserine; by PAK2 => ECO:0000269|PubMed:21555521, ECO:0000269|PubMed:27889207

Chain	Residue	Details
A	SER239
B	SER239

---