Study : SA0261 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: RIB_B_6(4RK0) / Model_23(4RK0/B) = [3.9] Download174.7313.31MKKVSIKDVAREAGVSVTTVSHILNHNDSRFSATTIKNVHAVSERLGYAPNKHAKQLRGSKIQTIGVILPSLTNPFFSALMQSIHDHKPSDVDLCFLTSTATDLYDNIKHLIDRGIDGLIIAQYISSPDALNNYLKKHHVPYVVLDQNDHQGYTDFVRTNEYQGGQLAAQHLIELGHNHMIIVAPYDMMANMSTRVAGFVDTLRANQLPEPQIVHTELSKRGGLTIVDDIMVQSATAIFAINDELAIGILRGLIEHGISIPKDISLIGYDDIDYAAYVSPPLTTVAQPITDIGKTSLTLLLQRLQHLDKSIDMIELPTTLKIRATTGYHLSN
Complex: RIB_A_5(4RK0) / Model_2(4RK0/A) = [4.1] Download209.0010.88MKKVSIKDVAREAGVSVTTVSHILNHNDSRFSATTIKNVHAVSERLGYAPNKHAKQLRGSKIQTIGVILPSLTNPFFSALMQSIHDHKPSDVDLCFLTSTATDLYDNIKHLIDRGIDGLIIAQYISSPDALNNYLKKHHVPYVVLDQNDHQGYTDFVRTNEYQGGQLAAQHLIELGHNHMIIVAPYDMMANMSTRVAGFVDTLRANQLPEPQIVHTELSKRGGLTIVDDIMVQSATAIFAINDELAIGILRGLIEHGISIPKDISLIGYDDIDYAAYVSPPLTTVAQPITDIGKTSLTLLLQRLQHLDKSIDMIELPTTLKIRATTGYHLSN
Complex: RIB_D_8(4RK0) / Model_21(4RK0/D) = [4.4] Download192.7810.88MKKVSIKDVAREAGVSVTTVSHILNHNDSRFSATTIKNVHAVSERLGYAPNKHAKQLRGSKIQTIGVILPSLTNPFFSALMQSIHDHKPSDVDLCFLTSTATDLYDNIKHLIDRGIDGLIIAQYISSPDALNNYLKKHHVPYVVLDQNDHQGYTDFVRTNEYQGGQLAAQHLIELGHNHMIIVAPYDMMANMSTRVAGFVDTLRANQLPEPQIVHTELSKRGGLTIVDDIMVQSATAIFAINDELAIGILRGLIEHGISIPKDISLIGYDDIDYAAYVSPPLTTVAQPITDIGKTSLTLLLQRLQHLDKSIDMIELPTTLKIRATTGYHLSN
Complex: RIB_C_7(4RK0) / Model_22(4RK0/C) = [4.6] Download219.3010.88MKKVSIKDVAREAGVSVTTVSHILNHNDSRFSATTIKNVHAVSERLGYAPNKHAKQLRGSKIQTIGVILPSLTNPFFSALMQSIHDHKPSDVDLCFLTSTATDLYDNIKHLIDRGIDGLIIAQYISSPDALNNYLKKHHVPYVVLDQNDHQGYTDFVRTNEYQGGQLAAQHLIELGHNHMIIVAPYDMMANMSTRVAGFVDTLRANQLPEPQIVHTELSKRGGLTIVDDIMVQSATAIFAINDELAIGILRGLIEHGISIPKDISLIGYDDIDYAAYVSPPLTTVAQPITDIGKTSLTLLLQRLQHLDKSIDMIELPTTLKIRATTGYHLSN
Consensus
[pKd Mean = 4.25]
-198
(s=16)
11
(s=1)
MKKVSIKDVAREAGVSVTTVSHILNHNDSRFSATTIKNVHAVSERLGYAPNKHAKQLRGSKIQTIGVILPSLTNPFFSALMQSIHDHKPSDVDLCFLTSTATDLYDNIKHLIDRGIDGLIIAQYISSPDALNNYLKKHHVPYVVLDQNDHQGYTDFVRTNEYQGGQLAAQHLIELGHNHMIIVAPYDMMANMSTRVAGFVDTLRANQLPEPQIVHTELSKRGGLTIVDDIMVQSATAIFAINDELAIGILRGLIEHGISIPKDISLIGYDDIDYAAYVSPPLTTVAQPITDIGKTSLTLLLQRLQHLDKSIDMIELPTTLKIRATTGYHLSN