Study : bsu38040 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: FRU_A_3(3PIJ) / Model_32(3PIJ/A) = [3.2] Download372.7915.22MTAHDQELRRRAYEEVEKKEPIANSDPHRQHFHIMPPVGLLNDPNGVIYWKGSYHVFFQWQPFQTGHGAKFWGHYTTQDVVNWKREEIALAPSDWFDKNGCYSGSAVTKDDRLYLFYTGNVRDQDGNRETYQCLAVSDDGLSFEKKGVVARLPEGYTAHFRDPKVWEHEGTWYMVIGAQTENLKGQAVLFASDNLTEWRFLGPITGAGFNGLDDFGYMWECPDLFSLQGSDVLIVSPQGLEADGFRYQNVYQSGYFVGRLDYNKPELKHGEFTELDQGFDFYAPQTLEDDQGRRILFAWMAVPDQDEGSHPTIDCHWIHCMTLPRQLTLSGQKLIQQPLPELKAMRRNEKKIHINMHGSSGALPVEKPERTEILLEDIHTESGFSISIRGTATFSFHKDEGIVTLERKSFDGKRTEARHCRIKDLHTVHMFLDASSVEIFINNGEEVLSARYFPFPGNHEVTASATGKSEMNVGIWTLM
Complex: SUC_A_4(2ADD) / Model_9(2ADD/A) = [3.2] Download951.145.05MTAHDQELRRRAYEEVEKKEPIANSDPHRQHFHIMPPVGLLNDPNGVIYWKGSYHVFFQWQPFQTGHGAKFWGHYTTQDVVNWKREEIALAPSDWFDKNGCYSGSAVTKDDRLYLFYTGNVRDQDGNRETYQCLAVSDDGLSFEKKGVVARLPEGYTAHFRDPKVWEHEGTWYMVIGAQTENLKGQAVLFASDNLTEWRFLGPITGAGFNGLDDFGYMWECPDLFSLQGSDVLIVSPQGLEADGFRYQNVYQSGYFVGRLDYNKPELKHGEFTELDQGFDFYAPQTLEDDQGRRILFAWMAVPDQDEGSHPTIDCHWIHCMTLPRQLTLSGQKLIQQPLPELKAMRRNEKKIHINMHGSSGALPVEKPERTEILLEDIHTESGFSISIRGTATFSFHKDEGIVTLERKSFDGKRTEARHCRIKDLHTVHMFLDASSVEIFINNGEEVLSARYFPFPGNHEVTASATGKSEMNVGIWTLM
Complex: FRU_A_3(3PIJ) / Model_2(3PIJ/A) = [3.6] Download362.515.87MTAHDQELRRRAYEEVEKKEPIANSDPHRQHFHIMPPVGLLNDPNGVIYWKGSYHVFFQWQPFQTGHGAKFWGHYTTQDVVNWKREEIALAPSDWFDKNGCYSGSAVTKDDRLYLFYTGNVRDQDGNRETYQCLAVSDDGLSFEKKGVVARLPEGYTAHFRDPKVWEHEGTWYMVIGAQTENLKGQAVLFASDNLTEWRFLGPITGAGFNGLDDFGYMWECPDLFSLQGSDVLIVSPQGLEADGFRYQNVYQSGYFVGRLDYNKPELKHGEFTELDQGFDFYAPQTLEDDQGRRILFAWMAVPDQDEGSHPTIDCHWIHCMTLPRQLTLSGQKLIQQPLPELKAMRRNEKKIHINMHGSSGALPVEKPERTEILLEDIHTESGFSISIRGTATFSFHKDEGIVTLERKSFDGKRTEARHCRIKDLHTVHMFLDASSVEIFINNGEEVLSARYFPFPGNHEVTASATGKSEMNVGIWTLM
Complex: DQR_A_4(2AEZ) / Model_14(2AEZ/A) = [4.3] Download1042.9415.09MTAHDQELRRRAYEEVEKKEPIANSDPHRQHFHIMPPVGLLNDPNGVIYWKGSYHVFFQWQPFQTGHGAKFWGHYTTQDVVNWKREEIALAPSDWFDKNGCYSGSAVTKDDRLYLFYTGNVRDQDGNRETYQCLAVSDDGLSFEKKGVVARLPEGYTAHFRDPKVWEHEGTWYMVIGAQTENLKGQAVLFASDNLTEWRFLGPITGAGFNGLDDFGYMWECPDLFSLQGSDVLIVSPQGLEADGFRYQNVYQSGYFVGRLDYNKPELKHGEFTELDQGFDFYAPQTLEDDQGRRILFAWMAVPDQDEGSHPTIDCHWIHCMTLPRQLTLSGQKLIQQPLPELKAMRRNEKKIHINMHGSSGALPVEKPERTEILLEDIHTESGFSISIRGTATFSFHKDEGIVTLERKSFDGKRTEARHCRIKDLHTVHMFLDASSVEIFINNGEEVLSARYFPFPGNHEVTASATGKSEMNVGIWTLM
Consensus
[pKd Mean = 3.58]
-682
(s=316)
10
(s=4)
MTAHDQELRRRAYEEVEKKEPIANSDPHRQHFHIMPPVGLLNDPNGVIYWKGSYHVFFQWQPFQTGHGAKFWGHYTTQDVVNWKREEIALAPSDWFDKNGCYSGSAVTKDDRLYLFYTGNVRDQDGNRETYQCLAVSDDGLSFEKKGVVARLPEGYTAHFRDPKVWEHEGTWYMVIGAQTENLKGQAVLFASDNLTEWRFLGPITGAGFNGLDDFGYMWECPDLFSLQGSDVLIVSPQGLEADGFRYQNVYQSGYFVGRLDYNKPELKHGEFTELDQGFDFYAPQTLEDDQGRRILFAWMAVPDQDEGSHPTIDCHWIHCMTLPRQLTLSGQKLIQQPLPELKAMRRNEKKIHINMHGSSGALPVEKPERTEILLEDIHTESGFSISIRGTATFSFHKDEGIVTLERKSFDGKRTEARHCRIKDLHTVHMFLDASSVEIFINNGEEVLSARYFPFPGNHEVTASATGKSEMNVGIWTLM