Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHIV-1 Protease AE Mutant (V82F)
LigandBDBM13934
Substrate/CompetitorHIV Protease Chromogenic Peptide Substrate
Meas. Tech.Protease Inhibition Assay
Ki 0.57±n/a nM
Citation Clemente, JCComan, RMThiaville, MMJanka, LKJeung, JANukoolkarn, SGovindasamy, LAgbandje-McKenna, MMcKenna, RLeelamanit, WGoodenow, MMDunn, BM Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir. Biochemistry45:5468-77 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
HIV-1 Protease AE Mutant (V82F)
Name:HIV-1 Protease AE Mutant (V82F)
Synonyms:HIV-1 Protease Mutant (V3I, I13V, E35D, M36I, S37N, R41K, H69K, V82F, L89M) | Pretherapy isolated AE protease mutant (V82F)
Type:Protein Complex
Mol. Mass.:n/a
Description:HIV-1 protease DNA for all the HIV B and AE variants was cloned, and protein was expressed and purified from Escherichia coli strain BL21.
Components:This complex has 2 components.
Component 1
Name:HIV-1 Protease AE Mutant (V82F) Chain A
Synonyms:HIV-1 Protease AE Mutant (V82F) Chain B
Type:Enzyme Subunit
Mol. Mass.:10805.72
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTVKIGGQLKEALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVRQYD
QILIEICGKKAIGTVLVGPTPFNIIGRNMLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:HIV-1 Protease AE Mutant (V82F) Chain A
Synonyms:HIV-1 Protease AE Mutant (V82F) Chain B
Type:Enzyme Subunit
Mol. Mass.:10805.72
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTVKIGGQLKEALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVRQYD
QILIEICGKKAIGTVLVGPTPFNIIGRNMLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM13934
NameBDBM13934
Synonyms:Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 | Latazanavir | US10806794, Compound Atazanavir | methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate | methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N'-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate
TypeSmall organic molecule
Emp. Form.C38H52N6O7
Mol. Mass.704.8555
SMILESCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|
Structure
HIV Protease Chromogenic Peptide Substrate
Name:HIV Protease Chromogenic Peptide Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:1420.11
Organism:n/a
Description:n/a
Residue:13
Sequence:
K-A-R-V-L*Nph-E-A-nL-G