4AXM

TRIAZINE CATHEPSIN INHIBITOR COMPLEX

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006508	biological_process	proteolysis
A	0008234	molecular_function	cysteine-type peptidase activity
B	0006508	biological_process	proteolysis
B	0008234	molecular_function	cysteine-type peptidase activity
F	0006508	biological_process	proteolysis
F	0008234	molecular_function	cysteine-type peptidase activity
I	0006508	biological_process	proteolysis
I	0008234	molecular_function	cysteine-type peptidase activity
L	0006508	biological_process	proteolysis
L	0008234	molecular_function	cysteine-type peptidase activity
O	0006508	biological_process	proteolysis
O	0008234	molecular_function	cysteine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 1221

Chain	Residue
A	ASN18
A	GLY20

---

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE V65 A 1222

Chain	Residue
A	LEU69
A	ALA135
A	ASP162
A	HIS163
A	GLY164
I	ARG206
A	GLN19
A	GLY23
A	SER24
A	CYS25
A	GLY61
A	GLU63
A	GLY68

---

site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL F 1221

Chain	Residue
F	ASN18

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE V65 B 1222

Chain	Residue
B	GLN19
B	GLY23
B	SER24
B	CYS25
B	ASN66
B	GLY67
B	GLY68
B	LEU69
F	ARG206

---

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL I 1221

Chain	Residue
I	ASN18

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE V65 F 1222

Chain	Residue
F	GLN19
F	GLY23
F	CYS25
F	GLU63
F	CYS65
F	ASN66
F	GLY67
F	GLY68
F	LEU69
F	MET161
F	ASP162
L	ARG206

---

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL L 1221

Chain	Residue
L	ASN18

---

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE V65 I 1222

Chain	Residue
I	GLN19
I	GLY23
I	SER24
I	CYS25
I	CYS65
I	GLY67
I	GLY68
I	ASP162
O	ARG206

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL O 1221

Chain	Residue
O	GLY20
O	LEU144

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE V65 L 1222

Chain	Residue
A	ARG206
L	GLN19
L	GLY23
L	CYS25
L	ASN66
L	GLY68
L	LEU69
L	ALA135
L	ASP162

---

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE V65 O 1222

Chain	Residue
O	GLY23
O	CYS25
O	ASN66
O	GLY67
O	GLY68
O	LEU69
O	ALA135
O	MET161
O	ASP162
O	HIS163
O	GLY164

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLN19-ALA30

---

site_id	PS00639
Number of Residues	11
Details	THIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. MDHGVLVVGYG

Chain	Residue	Details
A	MET161-GLY171

---

site_id	PS00640
Number of Residues	20
Details	THIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWLvKNSWgeeWGmgGYVkM

Chain	Residue	Details
A	TYR182-MET201

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: ACT_SITE => ECO:0000305|PubMed:9468501

Chain	Residue	Details
A	CYS25
B	CYS25
F	CYS25
I	CYS25
L	CYS25
O	CYS25

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	ACT_SITE:

Chain	Residue	Details
A	HIS163
L	ASN187
O	HIS163
O	ASN187
A	ASN187
B	HIS163
B	ASN187
F	HIS163
F	ASN187
I	HIS163
I	ASN187
L	HIS163

---

site_id	SWS_FT_FI3
Number of Residues	66
Details	BINDING: BINDING => ECO:0000269|PubMed:37990007, ECO:0007744|PDB:8HFV

Chain	Residue	Details
A	GLU9
A	ASP160
A	ASP162
B	GLU9
B	GLU50
B	ASP71
B	GLU86
B	GLU92
B	GLU96
B	ASP114
B	ASP137
A	GLU50
B	HIS140
B	ASP160
B	ASP162
F	GLU9
F	GLU50
F	ASP71
F	GLU86
F	GLU92
F	GLU96
F	ASP114
A	ASP71
F	ASP137
F	HIS140
F	ASP160
F	ASP162
I	GLU9
I	GLU50
I	ASP71
I	GLU86
I	GLU92
I	GLU96
A	GLU86
I	ASP114
I	ASP137
I	HIS140
I	ASP160
I	ASP162
L	GLU9
L	GLU50
L	ASP71
L	GLU86
L	GLU92
A	GLU92
L	GLU96
L	ASP114
L	ASP137
L	HIS140
L	ASP160
L	ASP162
O	GLU9
O	GLU50
O	ASP71
O	GLU86
A	GLU96
O	GLU92
O	GLU96
O	ASP114
O	ASP137
O	HIS140
O	ASP160
O	ASP162
A	ASP114
A	ASP137
A	HIS140

---

site_id	SWS_FT_FI4
Number of Residues	6
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12754519, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218

Chain	Residue	Details
A	ASN108
B	ASN108
F	ASN108
I	ASN108
L	ASN108
O	ASN108

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