3NUJ

Crystal Structure of HIV-1 Protease Mutant I54V with Antiviral Drug Amprenavir

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE 478 B 401

Chain	Residue
A	ASP25
A	ILE84
A	HOH1075
B	LEU23
B	ASP25
B	GLY27
B	ALA28
B	ASP29
B	ASP30
B	VAL32
B	GLY48
A	GLY27
B	GLY49
B	ILE50
B	HOH1063
A	ALA28
A	ASP30
A	VAL32
A	GLY48
A	GLY49
A	PRO81
A	VAL82

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 500

Chain	Residue
B	TRP6
B	IOD501

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 501

Chain	Residue
A	HOH1007
B	IOD500

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 502

Chain	Residue
A	THR74
A	ASN88

---

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD B 504

Chain	Residue
B	THR12

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 505

Chain	Residue
B	THR74
B	ASN88

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE IOD A 507

Chain	Residue
A	LYS55
A	IOD508
A	IOD519
B	LYS70

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IOD A 508

Chain	Residue
A	LYS55
A	IOD507
B	LYS70

---

site_id	AC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD B 509

Chain	Residue
B	IOD510

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 510

Chain	Residue
A	GLN61
B	IOD509

---

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 511

Chain	Residue
A	THR12

---

site_id	BC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD B 512

Chain	Residue
B	GLY40

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IOD A 513

Chain	Residue
A	THR12
A	GLU65
A	GLY68

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 514

Chain	Residue
B	LYS14
B	GLY17

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE IOD B 515

Chain	Residue
B	THR12
B	GLU65
B	GLY68
B	HOH1094

---

site_id	BC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD B 516

Chain	Residue
B	ARG8

---

site_id	BC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 517

Chain	Residue
A	THR4

---

site_id	BC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 518

Chain	Residue
B	ILE63
B	HOH1054

---

site_id	CC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 519

Chain	Residue
A	LYS55
A	IOD507

---

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IOD A 520

Chain	Residue
A	TRP6
A	GLY51
B	PRO79

---

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	ALA22-ILE33

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	138
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	20
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	2
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

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