SCORPIO version 2.0
Structure-Calorimetry Of Reported Protein Interactions Online
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ITC data
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Comments
Comment definitions
ΔC
p
ITC datum
Protein and Ligand
Protein name
HIV-1 Protease (Q7K/K14R)
Ligand name
Tmc114
Tmc114
Interaction type
Synthetic ligands
ITC data
ITC data
Structure data
Structure data
ITC Information
n
±
ΔG
-63.6
±
kJ/mol
ΔH
-50.63
±
kJ/mol
-TΔS
12.97
±
kJ/mol
K
D
0.0
±
uM
ΔC
P
±
Notes on error determination
Not applicable
General comments
Binding too tight to measure directly. Data obtained by competition ITC.
Warnings
Affinity (0.0000) less than 0.0000. It is difficult to interpred ITC data if Affinity is less than 0.0000 as the sigmoidal curve becomes too sharp. This can be overcome by performing displacement experiments.
DeltaG (-63.60) less than -60.00. It is difficult to interpred ITC data if DeltaG is less than -60.00 as the sigmoidal curve becomes too sharp. This can be overcome by performing displacement experiments.
Instrument
VP-ITC Microcalorimeter
Temp. (K)
293.15
pH
5.0
Buffer
DMSO 2.00 % Sodium Acetate 10.00 mM Tris(2-carboxyethyl)phosphine (TCEP) 2.00 mM
Cell content
Protein
Reference
J. Virol. [2004] 78, 12012-12021