3NDT

HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004190	molecular_function	aspartic-type endopeptidase activity
A	0006508	biological_process	proteolysis
B	0004190	molecular_function	aspartic-type endopeptidase activity
B	0006508	biological_process	proteolysis
C	0004190	molecular_function	aspartic-type endopeptidase activity
C	0006508	biological_process	proteolysis
D	0004190	molecular_function	aspartic-type endopeptidase activity
D	0006508	biological_process	proteolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	29
Details	BINDING SITE FOR RESIDUE ROC A 101

Chain	Residue
A	ARG9
A	GLY50
A	ILE51
A	THR81
A	PRO82
A	ILE85
A	HOH116
A	HOH324
B	ARG9
B	ASP26
B	GLY28
A	ASP26
B	ALA29
B	ASP30
B	ASP31
B	GLY49
B	GLY50
B	ILE51
B	PRO82
B	ILE85
B	HOH119
C	TRP6
A	GLY28
A	ALA29
A	ASP30
A	ASP31
A	VAL33
A	ILE48
A	GLY49

---

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 102

Chain	Residue
B	SER38

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 103

Chain	Residue
A	LYS15
A	GLY18
A	ILE64
A	DMS104
B	GLY18

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE DMS A 104

Chain	Residue
A	GLY18
A	DMS103
A	HOH115
B	LYS15
B	ILE16
B	GLY17
B	GLY18
B	ILE64

---

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 102

Chain	Residue
B	LYS8

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 103

Chain	Residue
A	LYS15
B	ILE64

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA C 100

Chain	Residue
C	THR12
C	GLU65
C	GLY68

---

site_id	AC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C 101

Chain	Residue
D	GLY40

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS C 102

Chain	Residue
C	GLY17
C	DMS103
D	LYS14
D	ILE15
D	GLY16
D	GLY17
D	ILE63

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS C 103

Chain	Residue
C	LYS14
C	ILE15
C	GLY16
C	GLY17
C	DMS102
D	GLY17

---

site_id	BC2
Number of Residues	26
Details	BINDING SITE FOR RESIDUE ROC D 100

Chain	Residue
C	ARG8
C	LEU23
C	ASP25
C	GLY27
C	ALA28
C	ASP29
C	ASP30
C	GLY48
C	GLY49
C	ILE50
C	PRO81
C	ILE84
C	HOH107
D	ARG8
D	ASP25
D	GLY27
D	ALA28
D	ASP29
D	ASP30
D	GLY48
D	GLY49
D	ILE50
D	THR80
D	ILE84
D	HOH102
D	HOH116

---

Functional Information from PROSITE/UniProt

site_id	PS00141
Number of Residues	12
Details	ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVI

Chain	Residue	Details
A	ALA23-ILE34

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	276
Details	Domain: {"description":"Peptidase A2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00275","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	40
Details	Region: {"description":"Dimerization of protease","evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Active site: {"description":"For protease activity; shared with dimeric partner","evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12924029","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---