Flaps Morph for HIV Protease

From Proteopedia

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• Rigidity 2012^[1]
• Wide open^[2]
• Course-grained^[3]
• 2017: Structural insights into HIV-1 protease flap opening processes and key intermediates (not in PubMed) HAVE PDF

Wide-Open HIV Protease Crystal Structures
PDB ID	Year	Resolution	Asymm. Unit	Ile50 dist.	Mutations
1tw7	2005	1.3 Å	2 chains	12.25 Å	I10L, N25D, V36M, L46M, V54I, V62I, P63L, V71A, A82V, V84I, M90L
2pc0	2007	1.4 Å	1 chain	12.2 Å	K7Q
2r8n	2008	1.2 Å	1 chain	12.19 Å	K7Q, I33L, R41K, I63L

• I did not finish examining hits via google for 'hiv protease flaps animation'

• Immunodeficiency virus protease includes morphs of flap movements and saquinavir binding. (HIV-1 protease redirects here.)
• Immunodeficiency virus protease 3D structures lists hundreds of crystal structures of HIV proteases.
• HIV Protease Inhibitor Resistance Profile
• Molecular Playground/HIV Protease Inhibitor includes an animated simulation of the protease inhibitor Ritonavir binding to the protease.
• Group:SMART:HIV-1 Subtype C Protease
• Protease
• Human Immunodeficiency Virus
• Journal:Acta_Cryst_D:S2059798319011355 Comparison of a retroviral protease crystallized as a monomer and a dimer.

• User:Tsung-Yi_Lin/Sandbox
• User:Dan_Huettner/Sandbox_1, User:Dan_Huettner/Sandbox_3
• User:David Canner/Sandbox HIV
• Sandbox 645
• Sandbox_Reserved_712
• Sandbox Reserved 955
• User:Nicole Maille/Sandbox 1

• Sandbox 215
• Fatty acid amide hydrolase, Sandbox_Reserved_921, Sandbox_Reserved_922

1. ↑ Heal JW, Jimenez-Roldan JE, Wells SA, Freedman RB, Romer RA. Inhibition of HIV-1 protease: the rigidity perspective. Bioinformatics. 2012 Feb 1;28(3):350-7. doi: 10.1093/bioinformatics/btr683. PMID:22291339 doi:http://dx.doi.org/10.1093/bioinformatics/btr683
2. ↑ Martin P, Vickrey JF, Proteasa G, Jimenez YL, Wawrzak Z, Winters MA, Merigan TC, Kovari LC. "Wide-open" 1.3 A structure of a multidrug-resistant HIV-1 protease as a drug target. Structure. 2005 Dec;13(12):1887-95. PMID:16338417 doi:10.1016/j.str.2005.11.005
3. ↑ Tozzini V, Trylska J, Chang CE, McCammon JA. Flap opening dynamics in HIV-1 protease explored with a coarse-grained model. J Struct Biol. 2007 Mar;157(3):606-15. doi: 10.1016/j.jsb.2006.08.005. Epub 2006 , Aug 23. PMID:17029846 doi:http://dx.doi.org/10.1016/j.jsb.2006.08.005