3QNW

Caspase-6 in complex with Z-VAD-FMK 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
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
E	0004197	molecular_function	cysteine-type endopeptidase activity
E	0006508	biological_process	proteolysis
E	0008234	molecular_function	cysteine-type peptidase activity
F	0004197	molecular_function	cysteine-type endopeptidase activity
F	0006508	biological_process	proteolysis
F	0008234	molecular_function	cysteine-type peptidase activity
G	0004197	molecular_function	cysteine-type endopeptidase activity
G	0006508	biological_process	proteolysis
G	0008234	molecular_function	cysteine-type peptidase activity
H	0004197	molecular_function	cysteine-type endopeptidase activity
H	0006508	biological_process	proteolysis
H	0008234	molecular_function	cysteine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR CHAIN X OF Z-VAD-FMK

Chain	Residue
A	GLU123
B	TRP227
B	ALA269
B	LYS272
A	CYS163
B	ALA213
B	GLU214
B	GLY215
B	TYR216
B	TYR217
B	SER218
B	HIS219

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site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR CHAIN Y OF Z-VAD-FMK

Chain	Residue
C	ALA162
C	CYS163
D	VAL212
D	GLU214
D	GLY215
D	TYR216
D	TYR217
D	SER218
D	HIS219
D	TRP227
D	VAL261
D	LYS272

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR CHAIN Z OF Z-VAD-FMK

Chain	Residue
G	GLU123
G	CYS163
H	GLU214
H	GLY215
H	TYR216
H	TYR217
H	SER218
H	LYS272

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Functional Information from PROSITE/UniProt

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

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. KPKIFIIQACRG

Chain	Residue	Details
A	LYS154-GLY165

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	MOD_RES: Phosphoserine; by NUAK1 and AMPK => ECO:0000269|PubMed:15273717, ECO:0000269|PubMed:22483120, ECO:0000269|PubMed:32029622

Chain	Residue	Details
B	SER257
D	SER257
F	SER257
H	SER257

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site_id	SWS_FT_FI2
Number of Residues	8
Details	LIPID: S-palmitoyl cysteine => ECO:0000269|PubMed:27911442

Chain	Residue	Details
B	CYS264
B	CYS277
D	CYS264
D	CYS277
F	CYS264
F	CYS277
H	CYS264
H	CYS277

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site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:O08738

Chain	Residue	Details
A	SER79
C	SER79
E	SER79
G	SER79

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