Study : bsu00810 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: FMN_A_5(1VHN) / Model_107(1VHN/A) = [7.2] Download866.4127.45MFKIGDIQLKNRVVLAPMAGVCNSAFRLTVKEFGAGLVCAEMVSDKAILYNNARTMGMLYIDEREKPLSLQIFGGKKETLVEAAKFVDQNTTADIIDINMGCPVPKITKCDAGAKWLLDPDKIYEMVSAVVDAVNKPVTVKMRMGWDEDHIFAVKNAQAVERAGGKAVALHGRTRVQMYEGTANWDIIKEVKQSVSIPVIGNGDVKTPQDAKRMLDETGVDGVMIGRAALGNPWMIYRTVQYLETGKLKEEPQVREKMAVCKLHLDRLIDLKGENVAVREMRKHAAWYLKGVKGNANVRNEINHCETREEFVQLLDAFTVEVEAKELQNAKVG
Complex: FMN_A_5(1VHN) / Model_1(1VHN/A) = [8.6] Download907.9831.74MFKIGDIQLKNRVVLAPMAGVCNSAFRLTVKEFGAGLVCAEMVSDKAILYNNARTMGMLYIDEREKPLSLQIFGGKKETLVEAAKFVDQNTTADIIDINMGCPVPKITKCDAGAKWLLDPDKIYEMVSAVVDAVNKPVTVKMRMGWDEDHIFAVKNAQAVERAGGKAVALHGRTRVQMYEGTANWDIIKEVKQSVSIPVIGNGDVKTPQDAKRMLDETGVDGVMIGRAALGNPWMIYRTVQYLETGKLKEEPQVREKMAVCKLHLDRLIDLKGENVAVREMRKHAAWYLKGVKGNANVRNEINHCETREEFVQLLDAFTVEVEAKELQNAKVG
Complex: FMN_A_5(1VHN) / Model_87(1VHN/A) = [8.6] Download936.7131.74MFKIGDIQLKNRVVLAPMAGVCNSAFRLTVKEFGAGLVCAEMVSDKAILYNNARTMGMLYIDEREKPLSLQIFGGKKETLVEAAKFVDQNTTADIIDINMGCPVPKITKCDAGAKWLLDPDKIYEMVSAVVDAVNKPVTVKMRMGWDEDHIFAVKNAQAVERAGGKAVALHGRTRVQMYEGTANWDIIKEVKQSVSIPVIGNGDVKTPQDAKRMLDETGVDGVMIGRAALGNPWMIYRTVQYLETGKLKEEPQVREKMAVCKLHLDRLIDLKGENVAVREMRKHAAWYLKGVKGNANVRNEINHCETREEFVQLLDAFTVEVEAKELQNAKVG
Complex: FMN_A_2(4BF9) / Model_8(4BF9/A) = [9.7] Download861.0016.89MFKIGDIQLKNRVVLAPMAGVCNSAFRLTVKEFGAGLVCAEMVSDKAILYNNARTMGMLYIDEREKPLSLQIFGGKKETLVEAAKFVDQNTTADIIDINMGCPVPKITKCDAGAKWLLDPDKIYEMVSAVVDAVNKPVTVKMRMGWDEDHIFAVKNAQAVERAGGKAVALHGRTRVQMYEGTANWDIIKEVKQSVSIPVIGNGDVKTPQDAKRMLDETGVDGVMIGRAALGNPWMIYRTVQYLETGKLKEEPQVREKMAVCKLHLDRLIDLKGENVAVREMRKHAAWYLKGVKGNANVRNEINHCETREEFVQLLDAFTVEVEAKELQNAKVG
Complex: FMN_B_7(4BFA) / Model_21(4BFA/B) = [10.0] Download1073.0822.19MFKIGDIQLKNRVVLAPMAGVCNSAFRLTVKEFGAGLVCAEMVSDKAILYNNARTMGMLYIDEREKPLSLQIFGGKKETLVEAAKFVDQNTTADIIDINMGCPVPKITKCDAGAKWLLDPDKIYEMVSAVVDAVNKPVTVKMRMGWDEDHIFAVKNAQAVERAGGKAVALHGRTRVQMYEGTANWDIIKEVKQSVSIPVIGNGDVKTPQDAKRMLDETGVDGVMIGRAALGNPWMIYRTVQYLETGKLKEEPQVREKMAVCKLHLDRLIDLKGENVAVREMRKHAAWYLKGVKGNANVRNEINHCETREEFVQLLDAFTVEVEAKELQNAKVG
Consensus
[pKd Mean = 8.82]
-929
(s=77)
26
(s=5)
MFKIGDIQLKNRVVLAPMAGVCNSAFRLTVKEFGAGLVCAEMVSDKAILYNNARTMGMLYIDEREKPLSLQIFGGKKETLVEAAKFVDQNTTADIIDINMGCPVPKITKCDAGAKWLLDPDKIYEMVSAVVDAVNKPVTVKMRMGWDEDHIFAVKNAQAVERAGGKAVALHGRTRVQMYEGTANWDIIKEVKQSVSIPVIGNGDVKTPQDAKRMLDETGVDGVMIGRAALGNPWMIYRTVQYLETGKLKEEPQVREKMAVCKLHLDRLIDLKGENVAVREMRKHAAWYLKGVKGNANVRNEINHCETREEFVQLLDAFTVEVEAKELQNAKVG