Study : B5HLT6_9ACTN (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: BEZ_A_2(6EF6) / Model_44(6EF6/A) = [3.3] Download426.7915.06MCINFLVCASLSMFRTSVSGARVPIGAWPDRGGEVRDAVLSVFRRNEYMREIDTGARVASPGTGCDGLVGTCPVDKPVDSVAVGVLARFLAQLTLVRKEALPALPAEWSRNERDSRAYLDTLVRHAKRRMLDPNWTAIGGLFAVLGVPGDRLVRFAEQVPAMSRRPYGLLLTNLARDNVTILEGPKLAEAGLDWTSASYGDPLHGLAGHVVRMRYPQDQVNEVVQAWACEMRRIRPPAVSGLDRDLPYYLDFERIHAAYDDVIRAARSLGDSIENLALLAAASDIGTALKRAAGLLGMSEVPPEKEIADALFRWQAARLVRAAERVPDSLFRWRCDDRVPERDDFPSDLVRRALAVEGVAPADRVFRGTAHLNTVVQLENYPDPVVVRRETAAAPRREQGLLPEHAVLQVIERSGVQVRAPRILALGYDDRRRHVAIHTYEGPGGRSPQHPVDGLLPAEADELVDELAALAEVDHSSLPSNEPEGGFYRWLAERLADFVAALPDATLRAADQRGLPDGDLLRQILGRYKVSDRAPVLLHGDLNPWNLVRAGRQGGLTIIDWEMGMIGDPLYDLVRHLHLTPTRTEMRVRMFDRWSKKLPAECVVGWEEDWRVYRYIEQIRSAYVDLDRMTTGAALSTPNVRRAVDAYEMTLSAATGSLGLRRRVVPKVPASLKVS
Complex: ATP_A_8(3ATT) / Model_41(3ATT/A) = [4.2] Download1783.2424.14MCINFLVCASLSMFRTSVSGARVPIGAWPDRGGEVRDAVLSVFRRNEYMREIDTGARVASPGTGCDGLVGTCPVDKPVDSVAVGVLARFLAQLTLVRKEALPALPAEWSRNERDSRAYLDTLVRHAKRRMLDPNWTAIGGLFAVLGVPGDRLVRFAEQVPAMSRRPYGLLLTNLARDNVTILEGPKLAEAGLDWTSASYGDPLHGLAGHVVRMRYPQDQVNEVVQAWACEMRRIRPPAVSGLDRDLPYYLDFERIHAAYDDVIRAARSLGDSIENLALLAAASDIGTALKRAAGLLGMSEVPPEKEIADALFRWQAARLVRAAERVPDSLFRWRCDDRVPERDDFPSDLVRRALAVEGVAPADRVFRGTAHLNTVVQLENYPDPVVVRRETAAAPRREQGLLPEHAVLQVIERSGVQVRAPRILALGYDDRRRHVAIHTYEGPGGRSPQHPVDGLLPAEADELVDELAALAEVDHSSLPSNEPEGGFYRWLAERLADFVAALPDATLRAADQRGLPDGDLLRQILGRYKVSDRAPVLLHGDLNPWNLVRAGRQGGLTIIDWEMGMIGDPLYDLVRHLHLTPTRTEMRVRMFDRWSKKLPAECVVGWEEDWRVYRYIEQIRSAYVDLDRMTTGAALSTPNVRRAVDAYEMTLSAATGSLGLRRRVVPKVPASLKVS
Consensus
[pKd Mean = 3.75]
-1105
(s=678)
19
(s=4)
MCINFLVCASLSMFRTSVSGARVPIGAWPDRGGEVRDAVLSVFRRNEYMREIDTGARVASPGTGCDGLVGTCPVDKPVDSVAVGVLARFLAQLTLVRKEALPALPAEWSRNERDSRAYLDTLVRHAKRRMLDPNWTAIGGLFAVLGVPGDRLVRFAEQVPAMSRRPYGLLLTNLARDNVTILEGPKLAEAGLDWTSASYGDPLHGLAGHVVRMRYPQDQVNEVVQAWACEMRRIRPPAVSGLDRDLPYYLDFERIHAAYDDVIRAARSLGDSIENLALLAAASDIGTALKRAAGLLGMSEVPPEKEIADALFRWQAARLVRAAERVPDSLFRWRCDDRVPERDDFPSDLVRRALAVEGVAPADRVFRGTAHLNTVVQLENYPDPVVVRRETAAAPRREQGLLPEHAVLQVIERSGVQVRAPRILALGYDDRRRHVAIHTYEGPGGRSPQHPVDGLLPAEADELVDELAALAEVDHSSLPSNEPEGGFYRWLAERLADFVAALPDATLRAADQRGLPDGDLLRQILGRYKVSDRAPVLLHGDLNPWNLVRAGRQGGLTIIDWEMGMIGDPLYDLVRHLHLTPTRTEMRVRMFDRWSKKLPAECVVGWEEDWRVYRYIEQIRSAYVDLDRMTTGAALSTPNVRRAVDAYEMTLSAATGSLGLRRRVVPKVPASLKVS