Study : bsu37600 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: TLA_A_5(4MLM) / Model_43(4MLM/A) = [3.2] Download1028.50-21.22MAYPNGKLSEEKVFKDPVHRYVHVRDKLIWDLIGTREFQRLRRIKQLGTTYLTFHGAEHSRFNHSLGVYEIVRRMVDDVFKGRPEWDDSERELCLAAALLHDLGHGPFSHSFEKVFHLDHEDFTRGIILGDTEVNQVLRKVSPGFPQDVAEVIAKTYKNKQVVSLISSQIDADRMDYLQRDAYYTGVSYGHFDMERILRVMRPREDQIVIKESGMHAVEDYIMSRYQMYWQVYFHPVTRSAEVILTKILHRAKQLHDEGYVFTHAPVHFYSIFEGKLTLEDYVKLDESIILYYFQAWEDEEDAILSDLCRRFINRQLFQYVEFNPNEEMSAYFELTSLFKEAGIDPSYYLVVDSSSDLPYDFYRPGEEEERLPIHLLTQNGQIKELSRQSAIVESISGKRRTDHKLYYPKDLICDGTKHPEAKMKIRQLLGLT
Complex: TTP_A_4(4RXS) / Model_10(4RXS/A) = [6.4] Download1269.678.59MAYPNGKLSEEKVFKDPVHRYVHVRDKLIWDLIGTREFQRLRRIKQLGTTYLTFHGAEHSRFNHSLGVYEIVRRMVDDVFKGRPEWDDSERELCLAAALLHDLGHGPFSHSFEKVFHLDHEDFTRGIILGDTEVNQVLRKVSPGFPQDVAEVIAKTYKNKQVVSLISSQIDADRMDYLQRDAYYTGVSYGHFDMERILRVMRPREDQIVIKESGMHAVEDYIMSRYQMYWQVYFHPVTRSAEVILTKILHRAKQLHDEGYVFTHAPVHFYSIFEGKLTLEDYVKLDESIILYYFQAWEDEEDAILSDLCRRFINRQLFQYVEFNPNEEMSAYFELTSLFKEAGIDPSYYLVVDSSSDLPYDFYRPGEEEERLPIHLLTQNGQIKELSRQSAIVESISGKRRTDHKLYYPKDLICDGTKHPEAKMKIRQLLGLT
Consensus
[pKd Mean = 4.80]
-1149
(s=120)
-6
(s=14)
MAYPNGKLSEEKVFKDPVHRYVHVRDKLIWDLIGTREFQRLRRIKQLGTTYLTFHGAEHSRFNHSLGVYEIVRRMVDDVFKGRPEWDDSERELCLAAALLHDLGHGPFSHSFEKVFHLDHEDFTRGIILGDTEVNQVLRKVSPGFPQDVAEVIAKTYKNKQVVSLISSQIDADRMDYLQRDAYYTGVSYGHFDMERILRVMRPREDQIVIKESGMHAVEDYIMSRYQMYWQVYFHPVTRSAEVILTKILHRAKQLHDEGYVFTHAPVHFYSIFEGKLTLEDYVKLDESIILYYFQAWEDEEDAILSDLCRRFINRQLFQYVEFNPNEEMSAYFELTSLFKEAGIDPSYYLVVDSSSDLPYDFYRPGEEEERLPIHLLTQNGQIKELSRQSAIVESISGKRRTDHKLYYPKDLICDGTKHPEAKMKIRQLLGLT