Study : bsu17000 (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: SF4_A_5(1R30) / Model_1(1R30/A) = [3.5] Download254.587.50MNQWMELANRVLAGAEVTDEEALSILHCPDEDILLLMHGAFHIRKHFYGKKVKLNMIMNAKSGLCPENCGYCSQSAISKAPIESYRMVNKETLLEGAKRAHDLNIGTYCIVASGRGPSNREVDQVVDAVQEIKETYGLKVCACLGLLKPEQAKRLKDAGVDRYNHNLNTSQRNHSNITTSHTYDDRVNTVEIAKESGLSPCSGAIIGIKETKQDVIDIAKSLKALDADSIPVNFLHAIDGTPLEGVNELNPLYCLKVLALFRFINPSKEIRISGGREVNLRSLQPLGLYAANSIFVGDYLTTAGQEETEDHKMLSDLGFEVESVEEMKASLSAKS
Complex: DTB_B_10(1R30) / Model_21(1R30/B) = [3.6] Download689.0314.41MNQWMELANRVLAGAEVTDEEALSILHCPDEDILLLMHGAFHIRKHFYGKKVKLNMIMNAKSGLCPENCGYCSQSAISKAPIESYRMVNKETLLEGAKRAHDLNIGTYCIVASGRGPSNREVDQVVDAVQEIKETYGLKVCACLGLLKPEQAKRLKDAGVDRYNHNLNTSQRNHSNITTSHTYDDRVNTVEIAKESGLSPCSGAIIGIKETKQDVIDIAKSLKALDADSIPVNFLHAIDGTPLEGVNELNPLYCLKVLALFRFINPSKEIRISGGREVNLRSLQPLGLYAANSIFVGDYLTTAGQEETEDHKMLSDLGFEVESVEEMKASLSAKS
Complex: DTB_A_9(1R30) / Model_1(1R30/A) = [3.7] Download777.0515.75MNQWMELANRVLAGAEVTDEEALSILHCPDEDILLLMHGAFHIRKHFYGKKVKLNMIMNAKSGLCPENCGYCSQSAISKAPIESYRMVNKETLLEGAKRAHDLNIGTYCIVASGRGPSNREVDQVVDAVQEIKETYGLKVCACLGLLKPEQAKRLKDAGVDRYNHNLNTSQRNHSNITTSHTYDDRVNTVEIAKESGLSPCSGAIIGIKETKQDVIDIAKSLKALDADSIPVNFLHAIDGTPLEGVNELNPLYCLKVLALFRFINPSKEIRISGGREVNLRSLQPLGLYAANSIFVGDYLTTAGQEETEDHKMLSDLGFEVESVEEMKASLSAKS
Complex: SAM_A_3(1R30) / Model_65(1R30/A) = [6.8] Download1081.7310.24MNQWMELANRVLAGAEVTDEEALSILHCPDEDILLLMHGAFHIRKHFYGKKVKLNMIMNAKSGLCPENCGYCSQSAISKAPIESYRMVNKETLLEGAKRAHDLNIGTYCIVASGRGPSNREVDQVVDAVQEIKETYGLKVCACLGLLKPEQAKRLKDAGVDRYNHNLNTSQRNHSNITTSHTYDDRVNTVEIAKESGLSPCSGAIIGIKETKQDVIDIAKSLKALDADSIPVNFLHAIDGTPLEGVNELNPLYCLKVLALFRFINPSKEIRISGGREVNLRSLQPLGLYAANSIFVGDYLTTAGQEETEDHKMLSDLGFEVESVEEMKASLSAKS
Complex: SAM_A_3(1R30) / Model_1(1R30/A) = [6.8] Download1139.5410.24MNQWMELANRVLAGAEVTDEEALSILHCPDEDILLLMHGAFHIRKHFYGKKVKLNMIMNAKSGLCPENCGYCSQSAISKAPIESYRMVNKETLLEGAKRAHDLNIGTYCIVASGRGPSNREVDQVVDAVQEIKETYGLKVCACLGLLKPEQAKRLKDAGVDRYNHNLNTSQRNHSNITTSHTYDDRVNTVEIAKESGLSPCSGAIIGIKETKQDVIDIAKSLKALDADSIPVNFLHAIDGTPLEGVNELNPLYCLKVLALFRFINPSKEIRISGGREVNLRSLQPLGLYAANSIFVGDYLTTAGQEETEDHKMLSDLGFEVESVEEMKASLSAKS
Consensus
[pKd Mean = 4.88]
-788
(s=317)
11
(s=3)
MNQWMELANRVLAGAEVTDEEALSILHCPDEDILLLMHGAFHIRKHFYGKKVKLNMIMNAKSGLCPENCGYCSQSAISKAPIESYRMVNKETLLEGAKRAHDLNIGTYCIVASGRGPSNREVDQVVDAVQEIKETYGLKVCACLGLLKPEQAKRLKDAGVDRYNHNLNTSQRNHSNITTSHTYDDRVNTVEIAKESGLSPCSGAIIGIKETKQDVIDIAKSLKALDADSIPVNFLHAIDGTPLEGVNELNPLYCLKVLALFRFINPSKEIRISGGREVNLRSLQPLGLYAANSIFVGDYLTTAGQEETEDHKMLSDLGFEVESVEEMKASLSAKS