1HPV: HIV-1 protease

Crystal structure of HIV-1 protease in complex with vx-478, a potent and orally bioavailable inhibitor of the enzyme. Determined by X-ray diffraction at 1.9 Å resolution. Released 31 Mar 1995.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Human immunodeficiency virus 1
Chains: 2
Atoms: 1,631
Mol. weight: 22.11 kDa
Ligands: 478
Released: 31 Mar 1995

Explore 1HPV in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1HPV 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	2-4	3	1
β-strand	10-15	6	2
β-strand	18-24	7	2
β-strand	31-33	3	2
β-strand	43-48	6	2
β-strand	53-66	14	2
β-strand	69-77	9	2
β-strand	84-85	2	2
α-helix	87-90	4
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	87-90	4
β-strand	96-98	3	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
HIV-1 protease	A, B	protein	99	Human immunodeficiency virus 1	P04587

Sequence of entity 1 (A, B), FASTA

>1HPV_1 HIV-1 PROTEASE (chains A, B)
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

Ligands and cofactors

ID	Name	Formula	Copies
478	{3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbam…	C25 H35 N3 O6 S	1

Primary citation

Crystal Structure of HIV-1 Protease in Complex with Vx-478, a Potent and Orally Bioavailable Inhibitor of the Enzyme. Kim, E.E., Baker, C.T., Dwyer, M.D. et al. J Am Chem Soc (1995) 117:1181-1182. PubMed

Other PDB entries of the same protein (UniProt P04587), best resolution first:

2NMZ 0.97 Å, Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir
3D1X 1.05 Å, Crystal structure of HIV-1 mutant I54M and inhibitor saquinavir
3D1Y 1.05 Å, Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA
3D20 1.05 Å, Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA
2AOG 1.1 Å, Crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog P2-NC
2AVM 1.1 Å, Kinetics, stability, and structural changes in high resolution crystal structures of…
2AVO 1.1 Å, Kinetics, stability, and structural changes in high resolution crystal structures of…
2AVS 1.1 Å, kinetics, stability, and structural changes in high resolution crystal structures of…
2NMY 1.1 Å, Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir
3OXC 1.16 Å, Wild Type HIV-1 Protease with Antiviral Drug Saquinavir
1K1T 1.2 Å, Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance
2NNP 1.2 Å, Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir

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1HPV is part of these collections:

Drugs bound to their targets

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