4OBH

Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F)

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	7
Details	BINDING SITE FOR RESIDUE GOL A 101

Chain	Residue
A	ARG14
A	GLY16
A	GLY17
A	PRO63
A	HOH210
A	HOH257
A	HOH262

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 102

Chain	Residue
A	HOH235
B	ARG87
A	LYS7
A	ARG8

---

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

Chain	Residue
A	TRP6
A	HOH219
A	HOH239
B	ARG87
B	ASN88

---

site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL A 104

Chain	Residue
A	ARG14

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 105

Chain	Residue
A	PRO39
A	GLY40
B	LYS20
B	MET36
B	ASN37

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 106

Chain	Residue
A	PRO81
E	ARG1
E	PRO2

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 107

Chain	Residue
A	THR12
A	GLU65
A	CYS67
A	GLY68

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 101

Chain	Residue
A	GLN18
A	MET36
A	ASN37
B	PRO39
B	GLY40

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 102

Chain	Residue
A	ASN88
A	THR91
B	TRP6

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT C 101

Chain	Residue
C	MET36
C	ASN37
D	PRO39
D	GLY40

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 102

Chain	Residue
C	ASP29
C	ASP30
F	ARG1
F	HOH102

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 103

Chain	Residue
C	THR12
C	GLU65
C	CYS67
C	GLY68

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO C 104

Chain	Residue
C	LYS20
C	GLU21
C	GLU34
C	ASN83
C	HOH228

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL D 101

Chain	Residue
C	ARG87
D	LYS7
D	ARG8

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 102

Chain	Residue
C	TRP6
D	ASP29
D	ARG87
D	PO4107
F	ARG9
F	HOH103

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 103

Chain	Residue
D	GLY73
D	THR74
D	ASN88
D	GLN92
D	HOH231

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D 105

Chain	Residue
D	GLU65
D	CYS67
D	GLY68

---

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D 106

Chain	Residue
C	PRO63
D	GLY16
D	GLY17
D	GLN18

---

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 D 107

Chain	Residue
C	LYS7
C	ARG8
D	ARG87
D	GOL102
F	ARG9

---

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL E 101

Chain	Residue
A	ARG87
B	TRP6
B	LYS7
B	ARG8
E	ARG9

---

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

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Site: {"description":"Cleavage; by viral protease","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---