3OD5

Crystal structure of active caspase-6 bound with Ac-VEID-CHO

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002218	biological_process	activation of innate immune response
A	0004175	molecular_function	endopeptidase activity
A	0004197	molecular_function	cysteine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006508	biological_process	proteolysis
A	0006915	biological_process	apoptotic process
A	0008234	molecular_function	cysteine-type peptidase activity
A	0016540	biological_process	protein autoprocessing
A	0030855	biological_process	epithelial cell differentiation
A	0042802	molecular_function	identical protein binding
A	0043065	biological_process	positive regulation of apoptotic process
A	0043067	biological_process	regulation of programmed cell death
A	0043525	biological_process	positive regulation of neuron apoptotic process
A	0051604	biological_process	protein maturation
A	0060545	biological_process	positive regulation of necroptotic process
A	0070269	biological_process	pyroptotic inflammatory response
A	0072332	biological_process	intrinsic apoptotic signaling pathway by p53 class mediator
A	0072734	biological_process	cellular response to staurosporine
A	0097153	molecular_function	obsolete cysteine-type endopeptidase activity involved in apoptotic process
A	0097284	biological_process	hepatocyte apoptotic process
B	0002218	biological_process	activation of innate immune response
B	0004175	molecular_function	endopeptidase activity
B	0004197	molecular_function	cysteine-type endopeptidase activity
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006508	biological_process	proteolysis
B	0006915	biological_process	apoptotic process
B	0008234	molecular_function	cysteine-type peptidase activity
B	0016540	biological_process	protein autoprocessing
B	0030855	biological_process	epithelial cell differentiation
B	0042802	molecular_function	identical protein binding
B	0043065	biological_process	positive regulation of apoptotic process
B	0043067	biological_process	regulation of programmed cell death
B	0043525	biological_process	positive regulation of neuron apoptotic process
B	0051604	biological_process	protein maturation
B	0060545	biological_process	positive regulation of necroptotic process
B	0070269	biological_process	pyroptotic inflammatory response
B	0072332	biological_process	intrinsic apoptotic signaling pathway by p53 class mediator
B	0072734	biological_process	cellular response to staurosporine
B	0097153	molecular_function	obsolete cysteine-type endopeptidase activity involved in apoptotic process
B	0097284	biological_process	hepatocyte apoptotic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CAC A 1

Chain	Residue
A	CYS264
C	VAL301

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CAC A 3

Chain	Residue
A	ARG164
A	TYR210
A	GLU214
A	CYS277
A	ALA279
B	ALA279

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CAC A 7

Chain	Residue
A	ALA69
A	ASP72
B	CAC6
B	ASP72
A	CYS68

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CAC A 8

Chain	Residue
A	THR75
A	CYS87
A	HOH498
A	HOH665

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CAC B 2

Chain	Residue
B	CYS264
D	VAL301

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CAC B 4

Chain	Residue
A	GLU53
A	ARG54
A	ASP90
B	ASN51
B	GLU53
B	CYS68
B	ASN89

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CAC B 5

Chain	Residue
A	ALA279
B	ARG164
B	TYR210
B	GLU214
B	CYS277
B	ALA279

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CAC B 6

Chain	Residue
A	CAC7
B	THR75
B	VAL85
B	CYS87
B	HOH750

---

site_id	AC9
Number of Residues	23
Details	BINDING SITE FOR CHAIN C OF PEPTIDE ALDEHYDE INHIBITOR AC-VEID-CHO

Chain	Residue
A	CAC1
A	ARG64
A	HIS121
A	GLY122
A	GLN161
A	CYS163
A	TYR217
A	SER218
A	HIS219
A	ARG220
A	GLU221
A	THR222
A	HOH326
A	HOH764
C	HOH39
C	HOH100
C	HOH255
C	HOH353
C	HOH383
C	HOH438
C	HOH646
C	HOH696
C	HOH791

---

site_id	BC1
Number of Residues	18
Details	BINDING SITE FOR CHAIN D OF PEPTIDE ALDEHYDE INHIBITOR AC-VEID-CHO

Chain	Residue
B	CAC2
B	ARG64
B	ARG65
B	HIS121
B	GLN161
B	CYS163
B	TYR217
B	SER218
B	HIS219
B	ARG220
B	GLU221
B	THR222
B	HOH342
B	HOH345
B	HOH556
D	HOH254
D	HOH574
D	HOH714

---

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

---

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

Chain	Residue	Details
A	LYS154-GLY165

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:30420425

Chain	Residue	Details
A	HIS121
B	HIS121

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:16123779, ECO:0000269|PubMed:19133298, ECO:0000269|PubMed:19694615, ECO:0000269|PubMed:20890311, ECO:0000269|PubMed:28864531, ECO:0000269|PubMed:30420425

Chain	Residue	Details
A	CYS163
B	CYS163

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:O08738

Chain	Residue	Details
A	SER79
B	SER79

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphoserine; by NUAK1 and AMPK => ECO:0000269|PubMed:15273717, ECO:0000269|PubMed:22483120, ECO:0000269|PubMed:32029622

Chain	Residue	Details
A	SER257
B	SER257

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	LIPID: S-palmitoyl cysteine => ECO:0000269|PubMed:27911442

Chain	Residue	Details
A	CYS264
A	CYS277
B	CYS264
B	CYS277

---