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Target
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V]
Ligand
BDBM13936
Substrate
Chromogenic Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Ki
41000±n/a nM
Km
500000±36000 nM
Comments
kcat/Km=0.93 +/- 0.08 min-1uM-1
Citation
 Liu, F; Boross, PI; Wang, YF; Tozser, J; Louis, JM; Harrison, RW; Weber, IT Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J Mol Biol 354:789-800 (2005) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V]
Synonyms:
HIV-1 Protease Mutant (I50V)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
The HIV-1 PR DNA for all of wildtype and mutants was cloned, and protein was expressed, purified, and refolded from Escherichia coli strain BL21.
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V]
Synonyms:
HIV-1 Protease Mutant (I50V) chain A | HIV-1 Protease Mutant (I50V) chain B | POL_HV1BR | gag-pol
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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGVGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V]
Synonyms:
HIV-1 Protease Mutant (I50V) chain A | HIV-1 Protease Mutant (I50V) chain B | POL_HV1BR | gag-pol
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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGVGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
  
Inhibitor
Name:
BDBM13936
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2-[(2S)-2-{[(2S)-2-[(2S,3S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]-3-methylpentanamido]hexyl]amino}hexanamido]pentanediamide | Ac-Thr-Ile-Nle-r-Nle-Gln-Arg-NH2 | Ace-T-I-Nle-r-Nle-Q-R | CHEMBL48996 | N-1465 | Peptide Inhibitor p2/NC
Type:
8-mer
Emp. Form.:
C35H67N11O8
Mol. Mass.:
769.9754
SMILES:
CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)CC |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Chromogenic Substrate
Synonyms:
CA/p2#
Type:
Peptide
Mol. Mass.:
2887.67
Organism:
n/a
Description:
n/a
Residue:
25
Sequence:
KARVNLEPNITRPHEEANLEAMIDE