3VFA

Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031

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	32
Details	BINDING SITE FOR RESIDUE 031 A 201

Chain	Residue
A	LEU23
A	ILE50
A	PRO81
A	ALA82
A	ILE84
A	CL205
A	HOH1001
A	HOH1002
A	HOH1003
A	HOH1004
A	HOH1054
A	ASP25
B	LEU23
B	ASP25
B	GLY27
B	ALA28
B	ASP29
B	ASP30
B	ILE47
B	GLY48
B	GLY49
B	ILE50
A	GLY27
B	PRO81
B	ALA82
B	ILE84
A	ALA28
A	ASP29
A	ASP30
A	ILE47
A	GLY48
A	GLY49

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 202

Chain	Residue
A	ASP60
A	HOH1005
A	HOH1006
A	HOH1007
A	HOH1008
A	HOH1009

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site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 203

Chain	Residue
A	THR74
A	ASN88
B	ARG41

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site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 204

Chain	Residue
A	GLN18
A	SER37

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site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 205

Chain	Residue
A	ILE47
A	GLY48
A	031201

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site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 206

Chain	Residue
A	ILE54
A	LYS55

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site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 101

Chain	Residue
B	TRP6

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site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 102

Chain	Residue
B	VAL11
B	THR12

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site_id	AC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 103

Chain	Residue
B	GLU21

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site_id	BC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 104

Chain	Residue
B	LYS55

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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

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094

Chain	Residue	Details
A	ASP25
B	ASP25

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site_id	SWS_FT_FI2
Number of Residues	2
Details	SITE: Cleavage; by viral protease => ECO:0000250

Chain	Residue	Details
A	PHE99
B	PHE99

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