2AOG: HIV-1 protease

Crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog P2-NC. Determined by X-ray diffraction at 1.1 Å resolution. Released 17 Jan 2006.

Method: X-ray diffraction
Resolution: 1.1 Å
Organism: Human immunodeficiency virus type 1 (BH5 ISOLATE)
Chains: 2
Atoms: 2,093
Mol. weight: 22.72 kDa
Ligands: 2NC
Released: 17 Jan 2006

Explore 2AOG in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2AOG 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	2-3	2	1
β-strand	10-15	6	2
β-strand	18-24	7	2
β-strand	32-33	2	2
β-strand	42-49	8	2
β-strand	52-66	15	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	102-103	2	1
β-strand	110-115	6	3
β-strand	118-124	7	3
β-strand	132-133	2	3
β-strand	143-149	7	3
β-strand	152-166	15	3
β-strand	169-177	9	3
β-strand	184-185	2	3
α-helix	187-190	4
β-strand	196-198	3	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
HIV-1 protease (retropepsin)	A, B	protein	99	Human immunodeficiency virus type 1 (BH5 ISOLATE)	P04587

Sequence of entity 1 (A, B), FASTA

>2AOG_1 HIV-1 PROTEASE (RETROPEPSIN) (chains A, B)
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPANIIGRNLLTQIGATLNF

Ligands and cofactors

ID	Name	Formula	Copies
2NC	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutamin…	C35 H68 N11 O8	1

Water and common crystallization additives (GOL, ACY, UNX) are not listed.

Primary citation

Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Tie, Y., Boross, P.I., Wang, Y.F. et al. FEBS J (2005) 272:5265-5277. DOI 10.1111/j.1742-4658.2005.04923.x · 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
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
3CYX 1.2 Å, Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira

Browse structure collections

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