Target
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A]
Ligand
BDBM13934
Substrate
HIV Protease Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
310.15±n/a K
Ki
0.24±0.07 nM
Km
15000±2000 nM
Comments
kcat/Km=0.54 +/- 0.07 uM-1sec-1
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. 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:
BDBM13934
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
Type:
Small organic molecule
Emp. Form.:
C38H52N6O7
Mol. Mass.:
704.8555
SMILES:
COC(=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:
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