3KJQ

Caspase 8 with covalent 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	12
Details	BINDING SITE FOR RESIDUE B94 A 480

Chain	Residue
A	ARG258
B	SER411
B	TYR412
B	ARG413
A	ARG260
A	HIS317
A	GLY318
A	GLN358
A	CYS360
A	HOH519
A	HOH542
A	HOH545

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE B94 A 481

Chain	Residue
A	TYR334
A	THR337
A	SER338
B	GLU396
B	PHE399
B	GLN465
B	THR467
B	THR469

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	HIS304-GLY318

---

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

Chain	Residue	Details
A	LYS351-GLY362

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	MOD_RES: Phosphoserine; by CDK1 => ECO:0000269|PubMed:20937773

Chain	Residue	Details
B	SER387
A	CYS360

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	MOD_RES: (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120

Chain	Residue	Details
B	ARG413

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	SITE: Cleavage; by CASP6 => ECO:0000269|PubMed:22858542

Chain	Residue	Details
A	ASP374

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:O89110

Chain	Residue	Details
A	SER211

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:O89110

Chain	Residue	Details
A	LYS224

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455

Chain	Residue	Details
A	TYR334

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues
Details	M-CSA 818

Chain	Residue	Details
A	ARG258	electrostatic stabiliser
A	HIS317	proton acceptor, proton donor
A	GLY318	electrostatic stabiliser
A	CYS360	nucleofuge, nucleophile, proton acceptor, proton donor

---