Sandbox 80
From Proteopedia
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The chemical formula of <scene name='Sandbox_80/Stickwireframe/1'>Saquinavir</scene> is (C39)(H54)(N6)(O8)S and the molecular weight is 766.94 g/mol.There are 5 aromatic rings, two of which are heterocyclic. One hydroxyl group near the center of the compound that plays an important role in active site binding. The amino groups cause the protease to recognize the drug as a natural substrate with amino acid groups which are recognized by the active sites. | The chemical formula of <scene name='Sandbox_80/Stickwireframe/1'>Saquinavir</scene> is (C39)(H54)(N6)(O8)S and the molecular weight is 766.94 g/mol.There are 5 aromatic rings, two of which are heterocyclic. One hydroxyl group near the center of the compound that plays an important role in active site binding. The amino groups cause the protease to recognize the drug as a natural substrate with amino acid groups which are recognized by the active sites. | ||
| - | |||
| - | {{STRUCTURE_3oxc | PDB=3oxc | SCENE= }} | ||
==Protein and Drug interations== | ==Protein and Drug interations== | ||
| - | intermolecular forces | + | intermolecular forces that cause the drug to bind in the active site of the protease are prodominantly H-bonds to |
| + | <scene name='Sandbox_80/Hydrophilic/1'>hydrophilic groups</scene> | ||
attraction | attraction | ||
Revision as of 16:21, 11 March 2011
Template:Tims Sandbox Reservation
Contents |
Saquinavir
This is an antiviral drug used to treat HIV by inhibiting proteases in the virus. This inhibition causes the spread of the virus to decrease significantly. The is an enzyme that the virus uses to produce the proteins necessary to assemble more viruses. The common name for saqinavir is fortovase. It functions as peptide-like analogue that binds to of the protein and causes inhibition by preventing the protease from cleaving polyproteins which in turn causes the virus to create non-infectious virus particles.
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| 3oxc, resolution 1.16Å () | |||||||
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| Ligands: | , , | ||||||
| Gene: | pol (Human immunodeficiency virus 1) | ||||||
| Activity: | HIV-1 retropepsin, with EC number 3.4.23.16 | ||||||
| Related: | 2ien, 3mws, 3nu3, 3cyx, 3d1x, 3d1y, 2nmy, 2nmz, 2nnk, 2nnp | ||||||
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Structure
The chemical formula of is (C39)(H54)(N6)(O8)S and the molecular weight is 766.94 g/mol.There are 5 aromatic rings, two of which are heterocyclic. One hydroxyl group near the center of the compound that plays an important role in active site binding. The amino groups cause the protease to recognize the drug as a natural substrate with amino acid groups which are recognized by the active sites.
Protein and Drug interations
intermolecular forces that cause the drug to bind in the active site of the protease are prodominantly H-bonds to attraction
References
http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0000973 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=60934&loc=ec_rcs#pharmaction
