4UPJ: HIV-2 protease

Human immunodeficiency virus type 2 protease mutant with lys 57 replaced by leu (K57L) complex with U097410 [4-hydroxy-3-[1-[3-[[[[(tert-butyloxycarbonyl) aminomethyl]carbonyl]amino]phenyl]propyl]coumarin. Determined by X-ray diffraction at 1.9 Å resolution. Released 14 Oct 1996.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Human immunodeficiency virus 2
Chains: 2
Atoms: 1,717
Mol. weight: 21.88 kDa
Ligands: U04
Released: 14 Oct 1996

Explore 4UPJ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4UPJ contains 2 α-helices and 18 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 1 helix, 9 β-strands

Element	Residues	Length	Sheet
β-strand	3-4	2	1
β-strand	10-15	6	2
β-strand	18-24	7	2
β-strand	32-33	2	2
β-strand	44-48	5	2
β-strand	53-66	14	2
β-strand	69-78	10	2
β-strand	84-85	2	2
α-helix	87-93	7
β-strand	96-98	3	1

Chain B: 1 helix, 9 β-strands

Element	Residues	Length	Sheet
β-strand	2-4	3	1
β-strand	10-15	6	3
β-strand	18-24	7	3
β-strand	32-33	2	3
β-strand	43-49	7	3
β-strand	52-66	15	3
β-strand	69-77	9	3
β-strand	84-85	2	3
α-helix	87-93	7
β-strand	96-98	3	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
HIV-2 protease	A, B	protein	99	Human immunodeficiency virus 2	P04584

Sequence of entity 1 (A, B), FASTA

>4UPJ_1 HIV-2 PROTEASE (chains A, B)
PQFSLWKRPVVTAYIEGQPVEVLLDTGADDSIVAGIELGNNYSPKIVGGIGGFINTLEYK
NVEIEVLNKKVRATIMTGDTPINIFGRNILTALGMSLNL

Ligands and cofactors

ID	Name	Formula	Copies
U04	({3-[1-(4-hydroxy-2-oxo-2H-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carba…	C25 H28 N2 O6	1

Primary citation

Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors. Thaisrivongs, S., Watenpaugh, K.D., Howe, W.J. et al. J Med Chem (1995) 38:3624-3637. DOI 10.1021/jm00018a023 · PubMed

Other PDB entries of the same protein (UniProt P04584), best resolution first:

3EC0 1.18 Å, High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-06579A
3ECG 1.18 Å, High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-98065
3EBZ 1.2 Å, High Resolution HIV-2 Protease Structure in Complex with Clinical Drug Darunavir
1IDA 1.7 Å, Crystal structures of HIV-2 protease in complex with inhibitors containing the…
1HSH 1.9 Å, Crystal structure at 1.9 Å resolution of human immunodeficiency virus (HIV) II protease…
2HPE 2.0 Å, Comparison of the structures of HIV-2 protease complexes in three crystal space groups…
1IDB 2.2 Å, Crystal structures of HIV-2 protease in complex with inhibitors containing the…
2MIP 2.2 Å, Crystal structure of human immunodeficiency virus (HIV) type 2 protease in complex with…
1HII 2.3 Å, Comparative analysis of the X-ray structures of HIV-1 and HIV-2 proteases in complex…
5UPJ 2.3 Å, HIV-2 PROTEASE/U99283 complex
6UPJ 2.34 Å, HIV-2 PROTEASE/U99294 complex
1MU2 2.35 Å, Crystal structure of HIV-2 reverse transcriptase

Browse structure collections

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