6B3C

Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide

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	4
Details	binding site for residue CL A 101

Chain	Residue
A	THR74
A	ASN88
A	HOH257
B	ARG41

---

site_id	AC2
Number of Residues	20
Details	binding site for residue CKS B 101

Chain	Residue
A	GLY49
A	ILE50
A	PRO81
A	VAL82
A	ILE84
B	ASP25
B	GLY27
B	ALA28
B	ASP29
B	ASP30
B	GLY48
B	GLY49
B	ILE50
B	ILE84
B	HOH212
A	ARG8
A	ASP25
A	GLY27
A	ALA28
A	GLY48

---

site_id	AC3
Number of Residues	3
Details	binding site for residue CL B 102

Chain	Residue
B	THR74
B	ASN88
B	HOH233

---

site_id	AC4
Number of Residues	1
Details	binding site for residue CL B 103

Chain	Residue
B	TRP6

---

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"}]}

Chain

Residue

Details

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