SCORPIO version 2.0

Structure-Calorimetry Of Reported Protein Interactions Online

• Home
• Browse proteins
• Browse ligands
• Browse ITC data
• Browse structures
• Browse citations

ITC

Browse

• ITC data
• Instruments
• Interaction types
• Buffers
• Comments
• Comment definitions
• ΔC_p

Browse ITC data

For a full dataset and details of experiment click on the datum link or any thermodynamic datum in the table below.

< >

Datum	Protein	Ligand	ΔG (kJ/mol)	ΔH (kJ/mol)	TΔS (kJ/mol)	KD (µM)	ΔCp (J/mol)
Link	Alpha-Thrombin	[N-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine [N-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine					-3.64
Link	Alpha-Thrombin	{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid {[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid					-2.22
Link	Alpha-Thrombin	{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid {[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid					-2.64
Link	Alpha-Thrombin	[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid					-2.28
Link	Alpha-Thrombin	[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid					-2.84
Link	v-Src SH2 Domain (variant 1)	ptc-EEI ptc-EEI	-39.96	-18.74	21.21	0.1	-0.94
Link	v-Src SH2 Domain (variant 1)	xx2ptc-EEI xx2ptc-EEI	-41.0	-30.67	10.35	0.06	-0.89
Link	v-Src SH2 Domain (variant 1)	xx1ptc-EEI xx1ptc-EEI	-38.74	-20.96	17.84	0.16
Link	v-Src SH2 Domain (variant 1)	xx3ptc-EEI xx3ptc-EEI	-40.67	-28.95	11.73	0.07
Link	Beta-Glucosidase	1-deoxynojirimycin 1-deoxynojirimycin	-33.3	-47.24	-13.93	4.76	-0.51
Link	Beta-Glucosidase	1-deoxynojirimycin 1-deoxynojirimycin	-29.66	-52.51	-22.84	7.14	-0.51
Link	Beta-Glucosidase	1-deoxynojirimycin 1-deoxynojirimycin	-29.25	-33.18	-3.93	9.09	-0.51
Link	Beta-Glucosidase	1-deoxynojirimycin 1-deoxynojirimycin	-26.74	-26.44	0.38	23.26	-0.51
Link	Beta-Glucosidase	1-deoxynojirimycin 1-deoxynojirimycin	-26.53	-36.36	-9.83	35.71	-0.51
Link	Beta-Glucosidase	5-hydroxymethyl-3,4-dihydroxypiperidine 5-hydroxymethyl-3,4-dihydroxypiperidine	-44.48	-40.5	3.97	0.02	-0.21
Link	Beta-Glucosidase	5-hydroxymethyl-3,4-dihydroxypiperidine 5-hydroxymethyl-3,4-dihydroxypiperidine	-46.65	-43.18	3.47	0.03	-0.21
Link	Beta-Glucosidase	5-hydroxymethyl-3,4-dihydroxypiperidine 5-hydroxymethyl-3,4-dihydroxypiperidine	-41.42	-28.49	12.93	0.07	-0.21
Link	Beta-Glucosidase	5-hydroxymethyl-3,4-dihydroxypiperidine 5-hydroxymethyl-3,4-dihydroxypiperidine	-42.26	-31.0	11.21	0.06	-0.21
Link	Beta-Glucosidase	5-hydroxymethyl-3,4-dihydroxypiperidine 5-hydroxymethyl-3,4-dihydroxypiperidine	-45.19	-34.56	10.63	0.03	-0.21
Link	Beta-Glucosidase	Tetrahydrooxazine Tetrahydrooxazine		-46.65		0.48

1 2 3 4 .. 8

Disclaimer

This is an ongoing project and, although SCORPIO has been curated with great care, it may contain errors. If you spot an error please contact us. We take no responsibility for the data within SCORPIO, nor any responsibility for the consequences of using the data within SCORPIO. No contract, warranty or liability is implied by using the data within SCORPIO.

If you make use of SCORPIO please cite J. Mol. Biol. [2008] 384, 1002-1017
Tjelvar S. G. Olsson, Mark A. Williams, Will R. Pitt and John E. Ladbury