Study : SA1487 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: TLA_A_2(3NRS) / Model_20(3NRS/A) = [3.1] Download536.332.72MNYLESLYWIHERTKFGIKPGVKRMEWMLAQFNNPQNNIKGIHVGGTNGKGSTVAYLRTALVENGYEVGTFTSPFIETFNERISLNGVPISNDAIVELVSRIKPVSEMMERETDLGVATEFEIITAMMFLYFGEIHPVDFVIVEAGLGIKNDSTNVFTPVLSILTSIGLDHTDILGGTYLDIARDKGAIIKPNVPVIYAVKNEDALKYVRERAIEQHAKPIELDREIVVVSQNDEFTYRYKDYELETIILSMLGEHQKQNAALAITALIELNEQGLIELDFNKMIDGIESVRWTGRIEQVHDKPLIILDGAHNSESIDALIDTIKQYHDKEKVDILFSAINGKPINEMVKHLSLIAHTFYATEFDFPKALRKEEIVGSIENDEIQLVDDYVEFIKNYQGDTLVITGSLYFISEVKSKLDFEAL
Complex: TLA_A_3(3NRS) / Model_20(3NRS/A) = [3.1] Download521.036.35MNYLESLYWIHERTKFGIKPGVKRMEWMLAQFNNPQNNIKGIHVGGTNGKGSTVAYLRTALVENGYEVGTFTSPFIETFNERISLNGVPISNDAIVELVSRIKPVSEMMERETDLGVATEFEIITAMMFLYFGEIHPVDFVIVEAGLGIKNDSTNVFTPVLSILTSIGLDHTDILGGTYLDIARDKGAIIKPNVPVIYAVKNEDALKYVRERAIEQHAKPIELDREIVVVSQNDEFTYRYKDYELETIILSMLGEHQKQNAALAITALIELNEQGLIELDFNKMIDGIESVRWTGRIEQVHDKPLIILDGAHNSESIDALIDTIKQYHDKEKVDILFSAINGKPINEMVKHLSLIAHTFYATEFDFPKALRKEEIVGSIENDEIQLVDDYVEFIKNYQGDTLVITGSLYFISEVKSKLDFEAL
Complex: UNL_A_8(1O5Z) / Model_17(1O5Z/A) = [3.4] Download567.308.19MNYLESLYWIHERTKFGIKPGVKRMEWMLAQFNNPQNNIKGIHVGGTNGKGSTVAYLRTALVENGYEVGTFTSPFIETFNERISLNGVPISNDAIVELVSRIKPVSEMMERETDLGVATEFEIITAMMFLYFGEIHPVDFVIVEAGLGIKNDSTNVFTPVLSILTSIGLDHTDILGGTYLDIARDKGAIIKPNVPVIYAVKNEDALKYVRERAIEQHAKPIELDREIVVVSQNDEFTYRYKDYELETIILSMLGEHQKQNAALAITALIELNEQGLIELDFNKMIDGIESVRWTGRIEQVHDKPLIILDGAHNSESIDALIDTIKQYHDKEKVDILFSAINGKPINEMVKHLSLIAHTFYATEFDFPKALRKEEIVGSIENDEIQLVDDYVEFIKNYQGDTLVITGSLYFISEVKSKLDFEAL
Complex: UNL_A_8(1O5Z) / Model_4(1O5Z/A) = [3.4] Download505.52-0.75MNYLESLYWIHERTKFGIKPGVKRMEWMLAQFNNPQNNIKGIHVGGTNGKGSTVAYLRTALVENGYEVGTFTSPFIETFNERISLNGVPISNDAIVELVSRIKPVSEMMERETDLGVATEFEIITAMMFLYFGEIHPVDFVIVEAGLGIKNDSTNVFTPVLSILTSIGLDHTDILGGTYLDIARDKGAIIKPNVPVIYAVKNEDALKYVRERAIEQHAKPIELDREIVVVSQNDEFTYRYKDYELETIILSMLGEHQKQNAALAITALIELNEQGLIELDFNKMIDGIESVRWTGRIEQVHDKPLIILDGAHNSESIDALIDTIKQYHDKEKVDILFSAINGKPINEMVKHLSLIAHTFYATEFDFPKALRKEEIVGSIENDEIQLVDDYVEFIKNYQGDTLVITGSLYFISEVKSKLDFEAL
Complex: POP_A_3(1FGS) / Model_1(1FGS/A) = [4.1] Download610.274.21MNYLESLYWIHERTKFGIKPGVKRMEWMLAQFNNPQNNIKGIHVGGTNGKGSTVAYLRTALVENGYEVGTFTSPFIETFNERISLNGVPISNDAIVELVSRIKPVSEMMERETDLGVATEFEIITAMMFLYFGEIHPVDFVIVEAGLGIKNDSTNVFTPVLSILTSIGLDHTDILGGTYLDIARDKGAIIKPNVPVIYAVKNEDALKYVRERAIEQHAKPIELDREIVVVSQNDEFTYRYKDYELETIILSMLGEHQKQNAALAITALIELNEQGLIELDFNKMIDGIESVRWTGRIEQVHDKPLIILDGAHNSESIDALIDTIKQYHDKEKVDILFSAINGKPINEMVKHLSLIAHTFYATEFDFPKALRKEEIVGSIENDEIQLVDDYVEFIKNYQGDTLVITGSLYFISEVKSKLDFEAL
Consensus
[pKd Mean = 3.42]		-548
(s=37)		4
(s=3)		MNYLESLYWIHERTKFGIKPGVKRMEWMLAQFNNPQNNIKGIHVGGTNGKGSTVAYLRTALVENGYEVGTFTSPFIETFNERISLNGVPISNDAIVELVSRIKPVSEMMERETDLGVATEFEIITAMMFLYFGEIHPVDFVIVEAGLGIKNDSTNVFTPVLSILTSIGLDHTDILGGTYLDIARDKGAIIKPNVPVIYAVKNEDALKYVRERAIEQHAKPIELDREIVVVSQNDEFTYRYKDYELETIILSMLGEHQKQNAALAITALIELNEQGLIELDFNKMIDGIESVRWTGRIEQVHDKPLIILDGAHNSESIDALIDTIKQYHDKEKVDILFSAINGKPINEMVKHLSLIAHTFYATEFDFPKALRKEEIVGSIENDEIQLVDDYVEFIKNYQGDTLVITGSLYFISEVKSKLDFEAL