6BKJ

Crystal Structure of Human Calpain-3 Protease Core in Complex with Leupeptin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004198	molecular_function	calcium-dependent cysteine-type endopeptidase activity
A	0006508	biological_process	proteolysis
B	0004198	molecular_function	calcium-dependent cysteine-type endopeptidase activity
B	0006508	biological_process	proteolysis
C	0004198	molecular_function	calcium-dependent cysteine-type endopeptidase activity
C	0006508	biological_process	proteolysis
D	0004198	molecular_function	calcium-dependent cysteine-type endopeptidase activity
D	0006508	biological_process	proteolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue CA A 501

Chain	Residue
A	ILE113
A	ASP114
A	GLY115
A	ASN117
A	ASP120
A	GLU199

---

site_id	AC2
Number of Residues	5
Details	binding site for residue CA A 502

Chain	Residue
A	ASP394
A	GLU396
A	GLU364
A	ASP371
A	THR392

---

site_id	AC3
Number of Residues	6
Details	binding site for residue CA B 501

Chain	Residue
B	ILE113
B	ASP114
B	GLY115
B	ASN117
B	ASP120
B	GLU199

---

site_id	AC4
Number of Residues	5
Details	binding site for residue CA B 502

Chain	Residue
B	GLU364
B	ASP371
B	THR392
B	ASP394
B	GLU396

---

site_id	AC5
Number of Residues	6
Details	binding site for residue CA C 501

Chain	Residue
C	ILE113
C	ASP114
C	GLY115
C	ASN117
C	ASP120
C	GLU199

---

site_id	AC6
Number of Residues	5
Details	binding site for residue CA C 502

Chain	Residue
C	GLU364
C	ASP371
C	THR392
C	ASP394
C	GLU396

---

site_id	AC7
Number of Residues	5
Details	binding site for residue CA D 501

Chain	Residue
D	ILE113
D	GLY115
D	ASN117
D	ASP120
D	GLU199

---

site_id	AC8
Number of Residues	5
Details	binding site for residue CA D 502

Chain	Residue
D	GLU364
D	ASP371
D	THR392
D	ASP394
D	GLU396

---

site_id	AC9
Number of Residues	2
Details	binding site for Di-peptide ACE F 355 and LEU F 356

Chain	Residue
A	GLY221
F	LEU357

---

site_id	AD1
Number of Residues	8
Details	binding site for Di-peptide LEU F 357 and AR7 F 358

Chain	Residue
A	GLY127
A	CYS129
A	TRP130
A	LYS220
A	GLY221
A	GLY222
F	ACE355
F	LEU356

---

site_id	AD2
Number of Residues	3
Details	binding site for Di-peptide ACE G 355 and LEU G 356

Chain	Residue
B	GLY222
D	TYR170
G	LEU357

---

site_id	AD3
Number of Residues	10
Details	binding site for Di-peptide LEU G 357 and AR7 G 358

Chain	Residue
B	GLY127
B	CYS129
B	TRP130
B	GLY221
B	GLY222
B	GLY333
B	HIS334
B	ALA335
G	ACE355
G	LEU356

---

site_id	AD4
Number of Residues	2
Details	binding site for Di-peptide ACE H 355 and LEU H 356

Chain	Residue
H	LEU357
H	AR7358

---

site_id	AD5
Number of Residues	8
Details	binding site for Di-peptide LEU H 357 and AR7 H 358

Chain	Residue
C	CYS129
C	TRP130
C	GLY221
C	GLY222
C	GLY333
C	HIS334
H	ACE355
H	LEU356

---

site_id	AD6
Number of Residues	2
Details	binding site for Di-peptide ACE I 355 and LEU I 356

Chain	Residue
B	TYR170
I	LEU357

---

site_id	AD7
Number of Residues	8
Details	binding site for Di-peptide LEU I 357 and AR7 I 358

Chain	Residue
D	GLN123
D	GLY127
D	CYS129
D	GLY221
D	GLY222
D	GLY333
D	HIS334
I	LEU356

---

site_id	AD8
Number of Residues	16
Details	binding site for Di-peptide AR7 I 358 and CYS D 129

Chain	Residue
D	VAL363
D	GLY395
I	LEU357
D	GLN123
D	GLY127
D	ASP128
D	TRP130
D	PHE131
D	LEU132
D	ALA133
D	GLY333
D	HIS334
D	ARG357
D	PRO359
D	TRP360
D	GLY361

---

Functional Information from PROSITE/UniProt

site_id	PS00139
Number of Residues	12
Details	THIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGeLGDCWFlAA

Chain	Residue	Details
A	GLN123-ALA134

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU00239

Chain	Residue	Details
A	CYS129
A	HIS334
A	ASN358
B	CYS129
B	HIS334
B	ASN358
C	CYS129
C	HIS334
C	ASN358
D	CYS129
D	HIS334
D	ASN358

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