1SHL

CASPASE-7 IN COMPLEX WITH FICA 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	7
Details	BINDING SITE FOR RESIDUE FXN A 401

Chain	Residue
A	CYS290
B	ILE183
B	PRO214
B	PHE221
B	TYR223
B	VAL292
B	FXN401

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site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE FXN B 401

Chain	Residue
A	PHE221
A	TYR223
A	VAL292
A	FXN401
B	CYS290
B	VAL292
A	ILE159
A	ILE183

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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

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

Chain	Residue	Details
A	LYS177-GLY188

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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

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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

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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

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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

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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

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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

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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

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

Chain	Residue	Details
B	CYS186
B	GLY145
B	HIS144

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