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Target
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A]
Ligand
BDBM519
Substrate
HIV Protease Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
310.15±n/a K
Ki
1.8±0.3 nM
Km
15000±2000 nM
Comments
kcat/Km=0.54 +/- 0.07 uM-1sec-1
Citation
 Clemente, JC; Coman, RM; Thiaville, MM; Janka, LK; Jeung, JA; Nukoolkarn, S; Govindasamy, L; Agbandje-McKenna, M; McKenna, R; Leelamanit, W; Goodenow, MM; Dunn, BM Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir. Biochemistry 45:5468-77 (2006) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A]
Synonyms:
HIV-1 CRF_01 A/E Protease | HIV-1 Protease AE | Pretherapy isolated AE protease containing the natural V3I, I13V, E35D, M36I, S37N, R41K, H69K, and L89M polymorphisms
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:
Gag-Pol polyprotein [482-580,I502K,I528M,T553A]
Synonyms:
HIV-1 Protease AE Chain A | HIV-1 Protease AE Chain B | POL_HV1U4 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10757.68
Organism:
Human immunodeficiency virus type 1
Description:
P24740[482-580,I502K,I528M,T553A]
Residue:
99
Sequence:
PQITLWQRPLVTVKIGGQLKEALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVRQYDQILIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [482-580,I502K,I528M,T553A]
Synonyms:
HIV-1 Protease AE Chain A | HIV-1 Protease AE Chain B | POL_HV1U4 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10757.68
Organism:
Human immunodeficiency virus type 1
Description:
P24740[482-580,I502K,I528M,T553A]
Residue:
99
Sequence:
PQITLWQRPLVTVKIGGQLKEALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVRQYDQILIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
  
Inhibitor
Name:
BDBM519
Synonyms:
(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide | CHEMBL114 | Fortovase | Invirase | Ro 31-8959 | SQV | Saquinavir
Type:
Small organic molecule
Emp. Form.:
C38H50N6O5
Mol. Mass.:
670.8408
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |@:16|
Structure:
Search PDB for entries with ligand similarity:
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:
KARVLNPHEANLG