Study : bsu23610 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ADV_A_5(1MQW) / Model_7(1MQW/A) = [3.1] Download1147.972.72MKSLEEKTIAKEQIFSGKVIDLYVEDVELPNGKASKREIVKHPGAVAVLAVTDEGKIIMVKQFRKPLERTIVEIPAGKLEKGEEPEYTALRELEEETGYTAKKLTKITAFYTSPGFADEIVHVFLAEELSVLEEKRELDEDEFVEVMEVTLEDALKLVESREVYDAKTAYAIQYLQLKEALQAQK
Complex: GOL_B_18(5C7Q) / Model_21(5C7Q/B) = [3.2] Download714.1419.50MKSLEEKTIAKEQIFSGKVIDLYVEDVELPNGKASKREIVKHPGAVAVLAVTDEGKIIMVKQFRKPLERTIVEIPAGKLEKGEEPEYTALRELEEETGYTAKKLTKITAFYTSPGFADEIVHVFLAEELSVLEEKRELDEDEFVEVMEVTLEDALKLVESREVYDAKTAYAIQYLQLKEALQAQK
Complex: GOL_B_16(5C7T) / Model_23(5C7T/B) = [3.4] Download470.42-7.56MKSLEEKTIAKEQIFSGKVIDLYVEDVELPNGKASKREIVKHPGAVAVLAVTDEGKIIMVKQFRKPLERTIVEIPAGKLEKGEEPEYTALRELEEETGYTAKKLTKITAFYTSPGFADEIVHVFLAEELSVLEEKRELDEDEFVEVMEVTLEDALKLVESREVYDAKTAYAIQYLQLKEALQAQK
Complex: AMP_A_3(1V8S) / Model_13(1V8S/A) = [3.5] Download1388.432.86MKSLEEKTIAKEQIFSGKVIDLYVEDVELPNGKASKREIVKHPGAVAVLAVTDEGKIIMVKQFRKPLERTIVEIPAGKLEKGEEPEYTALRELEEETGYTAKKLTKITAFYTSPGFADEIVHVFLAEELSVLEEKRELDEDEFVEVMEVTLEDALKLVESREVYDAKTAYAIQYLQLKEALQAQK
Complex: APR_A_4(1V8R) / Model_15(1V8R/A) = [4.0] Download2367.9912.75MKSLEEKTIAKEQIFSGKVIDLYVEDVELPNGKASKREIVKHPGAVAVLAVTDEGKIIMVKQFRKPLERTIVEIPAGKLEKGEEPEYTALRELEEETGYTAKKLTKITAFYTSPGFADEIVHVFLAEELSVLEEKRELDEDEFVEVMEVTLEDALKLVESREVYDAKTAYAIQYLQLKEALQAQK
Consensus
[pKd Mean = 3.44]
-1217
(s=658)
6
(s=9)
MKSLEEKTIAKEQIFSGKVIDLYVEDVELPNGKASKREIVKHPGAVAVLAVTDEGKIIMVKQFRKPLERTIVEIPAGKLEKGEEPEYTALRELEEETGYTAKKLTKITAFYTSPGFADEIVHVFLAEELSVLEEKRELDEDEFVEVMEVTLEDALKLVESREVYDAKTAYAIQYLQLKEALQAQK