Study : jhp_0101 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: TRS_A_5(3A8Y) / Model_83(3A8Y/A) = [4.2] Download481.667.84MGKVIGIDLGTTNSAMAVYEGNEAKIIANKEGKNTTPSIVAFTDKGEILVGESAKRQAVTNPEKTIYSIKRIMGLMFNEDKAKEAEKRLPYKIVDRNGACAIEISGKIYTPQEISAKILMKLKEDAESYLGESVTEAVITVPAYFNDSQRKATKEAGTIAGLNVLRIINEPTSAALAYGLDKKESEKIMVYDLGGGTFDVTVLETGDNVVEVLATGGDAFLGGDDFDNRVIDFLAAEFKNETGIEIKNDVMALQRLKEAAENAKKELSSAMETEINLPFITADATGPKHLVKKLTRAKFESLTEDLVEETISKIESVIKDAGLTKNEISEVVMVGGSTRIPKVQERVKAFINKELNKSVNPDEVVAVGASIQGGVLKGDVKDVLLLDVTPLSLGIETLGGVMTKVIDRGTTIPAKKSQVFSTAEDNQPAVSIMVLQGERELARDNKSLGKFDLQGIAPAPRGMPQIEVTFDIDANGILTVSAQDKNTGKSQEIKISGSSGLSDSEIEKMVKDAELHKEEDARKKEVIEARNHADSLAHQTQKSLDEHKTNLNENDANEIQNAINALKDCIKNDNATKAELEDKTKALTQAAQKLGEAMANKNNAEQPKKKDDDVIDAEVE
Complex: TRS_B_6(3A8Y) / Model_82(3A8Y/B) = [4.2] Download447.678.00MGKVIGIDLGTTNSAMAVYEGNEAKIIANKEGKNTTPSIVAFTDKGEILVGESAKRQAVTNPEKTIYSIKRIMGLMFNEDKAKEAEKRLPYKIVDRNGACAIEISGKIYTPQEISAKILMKLKEDAESYLGESVTEAVITVPAYFNDSQRKATKEAGTIAGLNVLRIINEPTSAALAYGLDKKESEKIMVYDLGGGTFDVTVLETGDNVVEVLATGGDAFLGGDDFDNRVIDFLAAEFKNETGIEIKNDVMALQRLKEAAENAKKELSSAMETEINLPFITADATGPKHLVKKLTRAKFESLTEDLVEETISKIESVIKDAGLTKNEISEVVMVGGSTRIPKVQERVKAFINKELNKSVNPDEVVAVGASIQGGVLKGDVKDVLLLDVTPLSLGIETLGGVMTKVIDRGTTIPAKKSQVFSTAEDNQPAVSIMVLQGERELARDNKSLGKFDLQGIAPAPRGMPQIEVTFDIDANGILTVSAQDKNTGKSQEIKISGSSGLSDSEIEKMVKDAELHKEEDARKKEVIEARNHADSLAHQTQKSLDEHKTNLNENDANEIQNAINALKDCIKNDNATKAELEDKTKALTQAAQKLGEAMANKNNAEQPKKKDDDVIDAEVE
Complex: 3F5_A_3(3M3Z) / Model_68(3M3Z/A) = [4.5] Download1298.88-7.17MGKVIGIDLGTTNSAMAVYEGNEAKIIANKEGKNTTPSIVAFTDKGEILVGESAKRQAVTNPEKTIYSIKRIMGLMFNEDKAKEAEKRLPYKIVDRNGACAIEISGKIYTPQEISAKILMKLKEDAESYLGESVTEAVITVPAYFNDSQRKATKEAGTIAGLNVLRIINEPTSAALAYGLDKKESEKIMVYDLGGGTFDVTVLETGDNVVEVLATGGDAFLGGDDFDNRVIDFLAAEFKNETGIEIKNDVMALQRLKEAAENAKKELSSAMETEINLPFITADATGPKHLVKKLTRAKFESLTEDLVEETISKIESVIKDAGLTKNEISEVVMVGGSTRIPKVQERVKAFINKELNKSVNPDEVVAVGASIQGGVLKGDVKDVLLLDVTPLSLGIETLGGVMTKVIDRGTTIPAKKSQVFSTAEDNQPAVSIMVLQGERELARDNKSLGKFDLQGIAPAPRGMPQIEVTFDIDANGILTVSAQDKNTGKSQEIKISGSSGLSDSEIEKMVKDAELHKEEDARKKEVIEARNHADSLAHQTQKSLDEHKTNLNENDANEIQNAINALKDCIKNDNATKAELEDKTKALTQAAQKLGEAMANKNNAEQPKKKDDDVIDAEVE
Complex: 3BH_A_3(3FZH) / Model_73(3FZH/A) = [4.8] Download881.96-6.15MGKVIGIDLGTTNSAMAVYEGNEAKIIANKEGKNTTPSIVAFTDKGEILVGESAKRQAVTNPEKTIYSIKRIMGLMFNEDKAKEAEKRLPYKIVDRNGACAIEISGKIYTPQEISAKILMKLKEDAESYLGESVTEAVITVPAYFNDSQRKATKEAGTIAGLNVLRIINEPTSAALAYGLDKKESEKIMVYDLGGGTFDVTVLETGDNVVEVLATGGDAFLGGDDFDNRVIDFLAAEFKNETGIEIKNDVMALQRLKEAAENAKKELSSAMETEINLPFITADATGPKHLVKKLTRAKFESLTEDLVEETISKIESVIKDAGLTKNEISEVVMVGGSTRIPKVQERVKAFINKELNKSVNPDEVVAVGASIQGGVLKGDVKDVLLLDVTPLSLGIETLGGVMTKVIDRGTTIPAKKSQVFSTAEDNQPAVSIMVLQGERELARDNKSLGKFDLQGIAPAPRGMPQIEVTFDIDANGILTVSAQDKNTGKSQEIKISGSSGLSDSEIEKMVKDAELHKEEDARKKEVIEARNHADSLAHQTQKSLDEHKTNLNENDANEIQNAINALKDCIKNDNATKAELEDKTKALTQAAQKLGEAMANKNNAEQPKKKDDDVIDAEVE
Complex: ADP_B_14(3C7N) / Model_7(3C7N/B) = [5.1] Download892.65-4.07MGKVIGIDLGTTNSAMAVYEGNEAKIIANKEGKNTTPSIVAFTDKGEILVGESAKRQAVTNPEKTIYSIKRIMGLMFNEDKAKEAEKRLPYKIVDRNGACAIEISGKIYTPQEISAKILMKLKEDAESYLGESVTEAVITVPAYFNDSQRKATKEAGTIAGLNVLRIINEPTSAALAYGLDKKESEKIMVYDLGGGTFDVTVLETGDNVVEVLATGGDAFLGGDDFDNRVIDFLAAEFKNETGIEIKNDVMALQRLKEAAENAKKELSSAMETEINLPFITADATGPKHLVKKLTRAKFESLTEDLVEETISKIESVIKDAGLTKNEISEVVMVGGSTRIPKVQERVKAFINKELNKSVNPDEVVAVGASIQGGVLKGDVKDVLLLDVTPLSLGIETLGGVMTKVIDRGTTIPAKKSQVFSTAEDNQPAVSIMVLQGERELARDNKSLGKFDLQGIAPAPRGMPQIEVTFDIDANGILTVSAQDKNTGKSQEIKISGSSGLSDSEIEKMVKDAELHKEEDARKKEVIEARNHADSLAHQTQKSLDEHKTNLNENDANEIQNAINALKDCIKNDNATKAELEDKTKALTQAAQKLGEAMANKNNAEQPKKKDDDVIDAEVE
Consensus
[pKd Mean = 4.56]
-800
(s=312)
0
(s=6)
MGKVIGIDLGTTNSAMAVYEGNEAKIIANKEGKNTTPSIVAFTDKGEILVGESAKRQAVTNPEKTIYSIKRIMGLMFNEDKAKEAEKRLPYKIVDRNGACAIEISGKIYTPQEISAKILMKLKEDAESYLGESVTEAVITVPAYFNDSQRKATKEAGTIAGLNVLRIINEPTSAALAYGLDKKESEKIMVYDLGGGTFDVTVLETGDNVVEVLATGGDAFLGGDDFDNRVIDFLAAEFKNETGIEIKNDVMALQRLKEAAENAKKELSSAMETEINLPFITADATGPKHLVKKLTRAKFESLTEDLVEETISKIESVIKDAGLTKNEISEVVMVGGSTRIPKVQERVKAFINKELNKSVNPDEVVAVGASIQGGVLKGDVKDVLLLDVTPLSLGIETLGGVMTKVIDRGTTIPAKKSQVFSTAEDNQPAVSIMVLQGERELARDNKSLGKFDLQGIAPAPRGMPQIEVTFDIDANGILTVSAQDKNTGKSQEIKISGSSGLSDSEIEKMVKDAELHKEEDARKKEVIEARNHADSLAHQTQKSLDEHKTNLNENDANEIQNAINALKDCIKNDNATKAELEDKTKALTQAAQKLGEAMANKNNAEQPKKKDDDVIDAEVE