Study : S3TEL8_ACIBA_ (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: BEZ_A_2(6EF6) / Model_1(6EF6/A) = [3.3] Download323.1632.05MSVEQNEFLSQVQLQILAEQAIKQYPSDYQGQVKLLCQSENATYQVSTGSARYALRIHRPNYHSKLDIQSELEWLDALNASGIQVPVAIADQSGERVITLKLSNDIYRYAVLFNWVEGDMPTVEVDPTAFEQLGQITAKLHAHSKTWQAPENFQRIVWNHETMVGADGHWGNWKNAPHLRPQDHGVIEEAIAQISKDLNFFGKTQERYGLIHADLRLTNLLLQQERIGVIDFDDCGMSWFMHDLAAAISFNEHYANAPHWVDYWLKGYERVGHIQSEEYEMIPTFIMQRRIQMMAWNGSHAQTEMAQSLGDQWSNETVRLCKKYLNGQMPVGI
Complex: BEZ_A_2(6EF6) / Model_25(6EF6/A) = [3.3] Download359.8031.47MSVEQNEFLSQVQLQILAEQAIKQYPSDYQGQVKLLCQSENATYQVSTGSARYALRIHRPNYHSKLDIQSELEWLDALNASGIQVPVAIADQSGERVITLKLSNDIYRYAVLFNWVEGDMPTVEVDPTAFEQLGQITAKLHAHSKTWQAPENFQRIVWNHETMVGADGHWGNWKNAPHLRPQDHGVIEEAIAQISKDLNFFGKTQERYGLIHADLRLTNLLLQQERIGVIDFDDCGMSWFMHDLAAAISFNEHYANAPHWVDYWLKGYERVGHIQSEEYEMIPTFIMQRRIQMMAWNGSHAQTEMAQSLGDQWSNETVRLCKKYLNGQMPVGI
Consensus
[pKd Mean = 3.30]
-341
(s=18)
31
(s=0)
MSVEQNEFLSQVQLQILAEQAIKQYPSDYQGQVKLLCQSENATYQVSTGSARYALRIHRPNYHSKLDIQSELEWLDALNASGIQVPVAIADQSGERVITLKLSNDIYRYAVLFNWVEGDMPTVEVDPTAFEQLGQITAKLHAHSKTWQAPENFQRIVWNHETMVGADGHWGNWKNAPHLRPQDHGVIEEAIAQISKDLNFFGKTQERYGLIHADLRLTNLLLQQERIGVIDFDDCGMSWFMHDLAAAISFNEHYANAPHWVDYWLKGYERVGHIQSEEYEMIPTFIMQRRIQMMAWNGSHAQTEMAQSLGDQWSNETVRLCKKYLNGQMPVGI