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Target
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,G574S]
Ligand
BDBM13936
Substrate
Chromogenic Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Ki
3300±n/a nM
Km
46000±4000 nM
Comments
kcat/Km=6.1 +/- 0.6 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,G574S]
Synonyms:
HIV-1 Protease Mutant (G73S)
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,G574S]
Synonyms:
HIV-1 Protease Mutant (G73S) chain A | HIV-1 Protease Mutant (G73S) chain B | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10762.13
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599,Q508K,L534I,L564I,C568A,C596A,G574S]
Residue:
99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAISTVLVGPTPVNIIGRNLLTQIGATLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,G574S]
Synonyms:
HIV-1 Protease Mutant (G73S) chain A | HIV-1 Protease Mutant (G73S) chain B | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10762.13
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599,Q508K,L534I,L564I,C568A,C596A,G574S]
Residue:
99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAISTVLVGPTPVNIIGRNLLTQIGATLNF
  
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