3OXX

Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Atazanavir

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	4
Details	BINDING SITE FOR RESIDUE GOL B 100

Chain	Residue
A	TRP6
A	LYS7
A	ARG8
B	ARG87

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 101

Chain	Residue
C	TRP6
A	GLY40
B	GLU35
B	MET36
B	ASN37
C	THR4

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 102

Chain	Residue
B	HIS69
B	LYS70
C	PHE53
C	HOH137

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT B 103

Chain	Residue
B	LYS20
B	GLU21
B	ASN83

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT B 104

Chain	Residue
B	GLU35
C	THR4
C	LEU5
C	TRP6
D	THR91
D	GLY94
D	CYS95

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT B 105

Chain	Residue
B	GLY73
B	THR74
B	ASN88
B	HOH133

---

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE DR7 A 100

Chain	Residue
A	ARG8
A	ASP25
A	GLY27
A	ALA28
A	ASP29
A	GLY48
A	GLY49
A	ILE84
A	HOH103
B	ARG8
B	ASP25
B	GLY27
B	ALA28
B	ASP29
B	GLY48
B	GLY49
B	VAL82
B	ILE84

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 101

Chain	Residue
A	ASP29
A	ARG87
A	ASN88
A	EDO102
A	HOH136
B	TRP6

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 102

Chain	Residue
A	ARG87
A	GOL101
B	LYS7
B	ARG8

---

site_id	BC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE DR7 C 100

Chain	Residue
C	ARG8
C	ASP25
C	GLY27
C	ALA28
C	ASP29
C	GLY48
C	GLY49
C	ILE84
C	HOH105
D	ARG8
D	ASP25
D	GLY27
D	ALA28
D	ASP29
D	GLY48
D	GLY49
D	VAL50
D	PRO81
D	ILE84

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 101

Chain	Residue
A	TRP42
A	PRO44
C	LEU10
C	VAL11
C	THR12
C	CYS67
C	ACT104

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 102

Chain	Residue
A	TRP6
B	GLY94
B	HOH115
C	VAL50
C	GLY51
C	HOH134
D	PRO79
D	PRO81

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT C 103

Chain	Residue
C	LYS7
C	ARG8
D	ARG87
D	GOL100

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT C 104

Chain	Residue
A	TRP42
C	GOL101

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 100

Chain	Residue
D	ARG87
D	ASN88
C	TRP6
C	ACT103
D	ASP29

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 D 101

Chain	Residue
C	PRO39
C	GLY40
D	MET36
D	ASN37

---

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT D 102

Chain	Residue
D	GLY73
D	THR74
D	ASN88
D	GLN92

---

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D 103

Chain	Residue
C	ARG87
D	LYS7
D	ARG8

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
B	ALA22-LEU33

---

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"}]}

Chain

Residue

Details

---