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TargetHIV-1 Protease Mutant (I50V)
LigandBDBM8125
Substrate/CompetitorHIV Peptide Substrate
Meas. Tech.Protease Inhibition Assay
pH5.6±n/a
Temperature310.15±n/a K
Ki 2.0±0.4 nM
Km57000±12000 nM
CommentsKcat/Km=30±7 min-1nM-1
Citation Kovalevsky, AY; Tie, Y; Liu, F; Boross, PI; Wang, YF; Leshchenko, S; Ghosh, AK; Harrison, RW; Weber, IT Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M. J Med Chem49:1379-87 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
HIV-1 Protease Mutant (I50V)
Name:HIV-1 Protease Mutant (I50V)
Synonyms:n/a
Type:Protein Complex
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:HIV-1 Protease Mutant (I50V) chain A
Synonyms:HIV-1 Protease Mutant (I50V) chain B
Type:Enzyme Subunit
Mol. Mass.:10718.08
Organism:Human immunodeficiency virus type 1
Description:All of the mutant constructs in this study are on the wild type containing the substitutions Q7K, L33I, and L63I, to minimize the autoproteolysis of the protease, and C67A and C95A, to prevent cysteine-thiol oxidation.
Residue:99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGVGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:HIV-1 Protease Mutant (I50V) chain A
Synonyms:HIV-1 Protease Mutant (I50V) chain B
Type:Enzyme Subunit
Mol. Mass.:10718.08
Organism:Human immunodeficiency virus type 1
Description:All of the mutant constructs in this study are on the wild type containing the substitutions Q7K, L33I, and L63I, to minimize the autoproteolysis of the protease, and C67A and C95A, to prevent cysteine-thiol oxidation.
Residue:99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGVGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM8125
NameBDBM8125
Synonyms:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CHEMBL1323 | Darunavir | Darunavir (DRV) | TMC-114 | UIC-94017 | US10806794, Compound Darunavir
TypeSmall organic molecule
Emp. Form.C27H37N3O7S
Mol. Mass.547.664
SMILES[H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Structure
HIV Peptide Substrate
Name:HIV Peptide Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:3156.95
Organism:n/a
Description:n/a
Residue:27
Sequence:
Ac-RE(Edans)SQNY*PIVRK(Dabcyl)R-CO-NH2