Study : T0658 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [Kd < -3] : 5 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: SUGAR_B_2(1DIL) / Model_34(1W8O/A) = [-7.4] Download--MKKTFLYFCLLFIVQTAFAADSIYVREQQIPILIDRIDNVLYEMRIPAQKGDVLNEITIQIGDNVDLSDIQAIRLFYSGVEAPSRKGEHFSPVTYISSHIPGNTRKALESYSVRQDEVTAPLSRTVKLTSKQPMLKGINYFWVSIQMKPETSLLAKVATTMPNAQINNKPINITWKGKVDERHVGIGVRQAGDDGSAAFRIPGLVTTNNGTLLGVYDIRYNSSVDLQEKIDIGVSRSTDKGQTWEPMRVAMTFKQTDGLPHGQNGVGDPSILVDEKTNTIWVVAAWTHGMGNERAWWNSMPGMTPDETAQLMLVKSEDDGKTWSEPINITSQVKDPSWYFLLQGPGRGITMQDGTLVFPIQFIDATRVPNAGIMYSKDRGKTWHLHNLARTNTTEAQVAEVEPGVLMLNMRDNRGGSRAVATTKDLGKTWTEHPSSRSALQESVCMASLIKVNAKDNITGKDLLLFSNPNTTKGRNHITIKASLDGGLTWPTEHQVLLDEAEGWGYSCLSMIDKETVGIFYESSVAHMTFQAVKLQDLIHQ
Complex: SUGAR_B_2(1DIL) / Model_31(2SLI/A) = [-7.4] Download--MKKTFLYFCLLFIVQTAFAADSIYVREQQIPILIDRIDNVLYEMRIPAQKGDVLNEITIQIGDNVDLSDIQAIRLFYSGVEAPSRKGEHFSPVTYISSHIPGNTRKALESYSVRQDEVTAPLSRTVKLTSKQPMLKGINYFWVSIQMKPETSLLAKVATTMPNAQINNKPINITWKGKVDERHVGIGVRQAGDDGSAAFRIPGLVTTNNGTLLGVYDIRYNSSVDLQEKIDIGVSRSTDKGQTWEPMRVAMTFKQTDGLPHGQNGVGDPSILVDEKTNTIWVVAAWTHGMGNERAWWNSMPGMTPDETAQLMLVKSEDDGKTWSEPINITSQVKDPSWYFLLQGPGRGITMQDGTLVFPIQFIDATRVPNAGIMYSKDRGKTWHLHNLARTNTTEAQVAEVEPGVLMLNMRDNRGGSRAVATTKDLGKTWTEHPSSRSALQESVCMASLIKVNAKDNITGKDLLLFSNPNTTKGRNHITIKASLDGGLTWPTEHQVLLDEAEGWGYSCLSMIDKETVGIFYESSVAHMTFQAVKLQDLIHQ
Complex: SUGAR_B_2(1DIL) / Model_33(2W20/A) = [-7.1] Download--MKKTFLYFCLLFIVQTAFAADSIYVREQQIPILIDRIDNVLYEMRIPAQKGDVLNEITIQIGDNVDLSDIQAIRLFYSGVEAPSRKGEHFSPVTYISSHIPGNTRKALESYSVRQDEVTAPLSRTVKLTSKQPMLKGINYFWVSIQMKPETSLLAKVATTMPNAQINNKPINITWKGKVDERHVGIGVRQAGDDGSAAFRIPGLVTTNNGTLLGVYDIRYNSSVDLQEKIDIGVSRSTDKGQTWEPMRVAMTFKQTDGLPHGQNGVGDPSILVDEKTNTIWVVAAWTHGMGNERAWWNSMPGMTPDETAQLMLVKSEDDGKTWSEPINITSQVKDPSWYFLLQGPGRGITMQDGTLVFPIQFIDATRVPNAGIMYSKDRGKTWHLHNLARTNTTEAQVAEVEPGVLMLNMRDNRGGSRAVATTKDLGKTWTEHPSSRSALQESVCMASLIKVNAKDNITGKDLLLFSNPNTTKGRNHITIKASLDGGLTWPTEHQVLLDEAEGWGYSCLSMIDKETVGIFYESSVAHMTFQAVKLQDLIHQ
Complex: SUGAR_B_2(1DIL) / Model_37(2BF6/A) = [-7.0] Download--MKKTFLYFCLLFIVQTAFAADSIYVREQQIPILIDRIDNVLYEMRIPAQKGDVLNEITIQIGDNVDLSDIQAIRLFYSGVEAPSRKGEHFSPVTYISSHIPGNTRKALESYSVRQDEVTAPLSRTVKLTSKQPMLKGINYFWVSIQMKPETSLLAKVATTMPNAQINNKPINITWKGKVDERHVGIGVRQAGDDGSAAFRIPGLVTTNNGTLLGVYDIRYNSSVDLQEKIDIGVSRSTDKGQTWEPMRVAMTFKQTDGLPHGQNGVGDPSILVDEKTNTIWVVAAWTHGMGNERAWWNSMPGMTPDETAQLMLVKSEDDGKTWSEPINITSQVKDPSWYFLLQGPGRGITMQDGTLVFPIQFIDATRVPNAGIMYSKDRGKTWHLHNLARTNTTEAQVAEVEPGVLMLNMRDNRGGSRAVATTKDLGKTWTEHPSSRSALQESVCMASLIKVNAKDNITGKDLLLFSNPNTTKGRNHITIKASLDGGLTWPTEHQVLLDEAEGWGYSCLSMIDKETVGIFYESSVAHMTFQAVKLQDLIHQ
Complex: SUGAR_B_2(1DIL) / Model_32(2JKB/A) = [-6.5] Download--MKKTFLYFCLLFIVQTAFAADSIYVREQQIPILIDRIDNVLYEMRIPAQKGDVLNEITIQIGDNVDLSDIQAIRLFYSGVEAPSRKGEHFSPVTYISSHIPGNTRKALESYSVRQDEVTAPLSRTVKLTSKQPMLKGINYFWVSIQMKPETSLLAKVATTMPNAQINNKPINITWKGKVDERHVGIGVRQAGDDGSAAFRIPGLVTTNNGTLLGVYDIRYNSSVDLQEKIDIGVSRSTDKGQTWEPMRVAMTFKQTDGLPHGQNGVGDPSILVDEKTNTIWVVAAWTHGMGNERAWWNSMPGMTPDETAQLMLVKSEDDGKTWSEPINITSQVKDPSWYFLLQGPGRGITMQDGTLVFPIQFIDATRVPNAGIMYSKDRGKTWHLHNLARTNTTEAQVAEVEPGVLMLNMRDNRGGSRAVATTKDLGKTWTEHPSSRSALQESVCMASLIKVNAKDNITGKDLLLFSNPNTTKGRNHITIKASLDGGLTWPTEHQVLLDEAEGWGYSCLSMIDKETVGIFYESSVAHMTFQAVKLQDLIHQ
Consensus
[Kd Mean = -7.08]
-0
(s=0)
0
(s=0)
MKKTFLYFCLLFIVQTAFAADSIYVREQQIPILIDRIDNVLYEMRIPAQKGDVLNEITIQIGDNVDLSDIQAIRLFYSGVEAPSRKGEHFSPVTYISSHIPGNTRKALESYSVRQDEVTAPLSRTVKLTSKQPMLKGINYFWVSIQMKPETSLLAKVATTMPNAQINNKPINITWKGKVDERHVGIGVRQAGDDGSAAFRIPGLVTTNNGTLLGVYDIRYNSSVDLQEKIDIGVSRSTDKGQTWEPMRVAMTFKQTDGLPHGQNGVGDPSILVDEKTNTIWVVAAWTHGMGNERAWWNSMPGMTPDETAQLMLVKSEDDGKTWSEPINITSQVKDPSWYFLLQGPGRGITMQDGTLVFPIQFIDATRVPNAGIMYSKDRGKTWHLHNLARTNTTEAQVAEVEPGVLMLNMRDNRGGSRAVATTKDLGKTWTEHPSSRSALQESVCMASLIKVNAKDNITGKDLLLFSNPNTTKGRNHITIKASLDGGLTWPTEHQVLLDEAEGWGYSCLSMIDKETVGIFYESSVAHMTFQAVKLQDLIHQ