Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
Ligand
BDBM13935
Substrate
Chromogenic Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Ki
75±n/a nM
Km
55000±7000 nM
Comments
kcat/Km=5.2 +/- 0.2 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]
Synonyms:
HIV-1 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
The HIV-1 PR (Genbank HIVHXB2CG) clone was constructed with the substitutions Q7K, L33I, and L63I to minimize the autoproteolysis of the PR, and C67A and C95A to prevent cysteine-thiol oxidation.
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
Synonyms:
HIV-1 Protease chain A | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10732.11
Organism:
Human immunodeficiency virus type 1
Description:
The HIV-1 protease (Genbank HIVHXB2CG) clone was constructed with 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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
Synonyms:
HIV-1 Protease chain A | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10732.11
Organism:
Human immunodeficiency virus type 1
Description:
The HIV-1 protease (Genbank HIVHXB2CG) clone was constructed with 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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
  
Inhibitor
Name:
BDBM13935
Synonyms:
(4S)-4-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentyl]amino}-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl}ethyl]carbamoyl}butanoic acid | H-Arg-Val-Leu-r-Phe-Glu-Ala-Nle-NH2 | N-1270 | Peptide Inhibitor CA/p2 | R-V-L-r-F-E-A-Nle
Type:
7-mer
Emp. Form.:
C40H69N11O8
Mol. Mass.:
832.0448
SMILES:
CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(N)=O |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