3OXC: Protease

Wild Type HIV-1 Protease with Antiviral Drug Saquinavir. Determined by X-ray diffraction at 1.16 Å resolution. Released 10 Nov 2010.

Method: X-ray diffraction
Resolution: 1.16 Å
Organism: Human immunodeficiency virus 1
Chains: 2
Atoms: 1,930
Mol. weight: 22.44 kDa
Ligands: ROC
Released: 10 Nov 2010

Explore 3OXC in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3OXC 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	32-34	3	2
β-strand	43-49	7	2
β-strand	52-66	15	2
β-strand	69-78	10	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	142-149	8	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
Protease	A, B	protein	99	Human immunodeficiency virus 1	P04587

Sequence of entity 1 (A, B), FASTA

>3OXC_1 Protease (chains A, B)
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF

Ligands and cofactors

ID	Name	Formula	Copies
ROC	(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-oc…	C38 H50 N6 O5	1

Water and common crystallization additives (SO4, FMT) are not listed.

Primary citation

Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Kovalevsky, A.Y., Wang, Y.-F., Tie, Y. et al. Proteins (2007) 67:232-242. 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
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

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3OXC is part of these collections:

Drugs bound to their targets

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