6BH9

Caspase-3 Mutant - T152A

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue NA A 301

Chain	Residue
A	GLN161
C	SER205
C	TRP206
C	SER213
C	TRP214
C	PHE215
C	GLN261

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site_id	AC2
Number of Residues	4
Details	binding site for residue NA A 302

Chain	Residue
A	ASP70
A	LEU119
A	ARG64
A	THR67

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site_id	AC3
Number of Residues	4
Details	binding site for residue CL A 303

Chain	Residue
A	LYS53
A	GLY66
A	THR67
A	ASP68

---

site_id	AC4
Number of Residues	7
Details	binding site for residue NA C 301

Chain	Residue
A	ALA152
A	GLY153
A	LYS156
C	ILE187
C	ALA191
C	ASP192
C	HOH437

---

site_id	AC5
Number of Residues	7
Details	binding site for residue NA B 301

Chain	Residue
B	GLN161
E	SER205
E	TRP206
E	SER213
E	TRP214
E	PHE215
E	GLN261

---

site_id	AC6
Number of Residues	4
Details	binding site for residue CL B 302

Chain	Residue
B	LYS53
B	GLY66
B	THR67
B	ASP68

---

site_id	AC7
Number of Residues	6
Details	binding site for residue NA E 301

Chain	Residue
B	GLY153
B	LYS156
E	ILE187
E	ALA191
E	ASP192
E	HOH433

---

site_id	AC8
Number of Residues	12
Details	binding site for Di-peptide ACE G 1 and ASP G 2

Chain	Residue
C	TRP206
C	ARG207
C	ASN208
C	SER209
C	TRP214
C	SER249
C	PHE250
C	HOH419
G	GLU3
G	HOH101
G	HOH103
G	HOH104

---

site_id	AC9
Number of Residues	8
Details	binding site for Di-peptide ASP G 5 and 0QE G 6

Chain	Residue
A	ARG64
A	HIS121
A	GLY122
A	GLN161
A	CYS163
C	SER205
C	ARG207
G	VAL4

---

site_id	AD1
Number of Residues	22
Details	binding site for Ac-Asp-Glu-Val-Asp-CMK chain D

Chain	Residue
B	SER58
B	ARG64
B	HIS121
B	GLY122
B	GLN161
B	CYS163
B	HOH403
B	HOH417
D	HOH101
D	HOH102
D	HOH103
D	HOH104
E	TYR204
E	SER205
E	TRP206
E	ARG207
E	ASN208
E	SER209
E	TRP214
E	SER249
E	PHE250
E	HOH412

---

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
C	ARG207
E	ARG207
B	HIS121
B	CYS163

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	MOD_RES: N-acetylmethionine => ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895

Chain	Residue	Details
A	MET1
B	MET1

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P70677

Chain	Residue	Details
A	LYS11
B	LYS11

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER26
B	SER26

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: S-nitrosocysteine; in inhibited form => ECO:0000269|PubMed:10213689

Chain	Residue	Details
A	CYS163
B	CYS163

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues
Details	M-CSA 815

Chain	Residue	Details
A	THR62	electrostatic stabiliser
A	SER63	electrostatic stabiliser
A	HIS121	electrostatic stabiliser, proton acceptor, proton donor
A	GLY122	electrostatic stabiliser
A	CYS163	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues
Details	M-CSA 815

Chain	Residue	Details
B	THR62	electrostatic stabiliser
B	SER63	electrostatic stabiliser
B	HIS121	electrostatic stabiliser, proton acceptor, proton donor
B	GLY122	electrostatic stabiliser
B	CYS163	electrostatic stabiliser

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