2Y0B

Caspase-3 in Complex with an Inhibitory DARPin-3.4_S76R

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	5
Details	BINDING SITE FOR RESIDUE MPD A 1175

Chain	Residue
A	LYS88
A	ASN89
A	ASP90
A	LEU91
A	HOH2047

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MPD B 1278

Chain	Residue
A	SER65
B	ARG207
B	SER209
G	ILE78

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site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MRD C 1175

Chain	Residue
C	ALA71
C	ASN87
C	ASN89

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site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MRD A 1176

Chain	Residue
A	ASN51
A	ASP68
A	ALA71
A	ASN87
A	ASN89

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Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	HIS108-GLY122

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

Chain	Residue	Details
A	LYS154-GLY165

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	MOD_RES: (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120, ECO:0000269|PubMed:36423631

Chain	Residue	Details
B	ARG207
D	ARG207
C	HIS121
C	CSO163

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site_id	SWS_FT_FI2
Number of Residues	2
Details	MOD_RES: S-nitrosocysteine; in inhibited form => ECO:0000269|PubMed:10213689

Chain	Residue	Details
A	CSO163
C	CSO163

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues
Details	M-CSA 815

Chain	Residue	Details
A	CSO163	electrostatic stabiliser
A	THR62	electrostatic stabiliser
A	SER63	electrostatic stabiliser
A	HIS121	electrostatic stabiliser, proton acceptor, proton donor
A	GLY122	electrostatic stabiliser

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site_id	MCSA2
Number of Residues
Details	M-CSA 815

Chain	Residue	Details
C	THR62	electrostatic stabiliser
C	SER63	electrostatic stabiliser
C	HIS121	electrostatic stabiliser, proton acceptor, proton donor
C	GLY122	electrostatic stabiliser
C	CSO163	electrostatic stabiliser

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