2Y1L

Caspase-8 in Complex with DARPin-8.4

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
C	0004197	molecular_function	cysteine-type endopeptidase activity
C	0006508	biological_process	proteolysis
C	0008234	molecular_function	cysteine-type peptidase activity
D	0004197	molecular_function	cysteine-type endopeptidase activity
D	0006508	biological_process	proteolysis
D	0008234	molecular_function	cysteine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 401

Chain	Residue
A	HIS242
A	ASN261
A	GLY262
A	THR263
A	HIS264
A	HOH548
A	HOH542
A	HOH572

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 501

Chain	Residue
B	GLU417
B	TRP420
B	LYS453
B	HOH615
H	ILE1
B	ASN414

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 502

Chain	Residue
B	ARG471
B	LYS472
D	TYR448
E	LYS144

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 C 401

Chain	Residue
C	HIS242
C	ASN261
C	GLY262
C	THR263
C	HIS264
C	HOH511
C	HOH575

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO C 402

Chain	Residue
B	GLN465
C	TYR334
C	THR337
C	SER338
D	GLU396
D	PHE399

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO E 201

Chain	Residue
C	ASP303
C	ASN306
C	HOH552
E	LEU19
E	GLU20
E	ARG23
E	ASP44
E	LEU53

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO F 201

Chain	Residue
A	GLU275
F	HOH426
F	ASN74
F	ASP105
F	ALA108
F	HOH349
F	HOH332

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO F 202

Chain	Residue
F	GLY124
F	HIS125
F	LEU126
F	GLU127
F	HOH390

---

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	4
Details	Active site: {"evidences":[{"source":"PubMed","id":"10508785","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"O89110","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
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

---

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

---

site_id	MCSA2
Number of Residues
Details	M-CSA 818

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

---