Study : Wbm0612 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: P6G_A_6(3CTZ) / Model_76(3CTZ/A) = [3.4] Download1101.65-14.70MSKIEEFRSFMCEIKVDAFMLHTKDEYLNGHSDELTKLCGFTGTHGLLIVTKDNKCPFFTDGRYITQARNQLDQDNFQVHNIQEENPYEWVKANLTLTTSLGYYLQYFTVKEIRKYEDICKLVPYSIKKEISRRKQTIVSHAVEHSGESSKSKCEKVAKSINKEAEAVLLTDSNSISWLLNLRNENAKYTPCILGCAILYKNGNVDLFIQDKEYSTIEANLGNHTNIFDISKLKSSLCKINSIIIDPNTTPMSIMAIIKNKQIVEREDPCLIYKAVKNQTEIAGAIKAHTRDGIAVTNFLHWLENNTSTELEAEEKILEYRKEQDLFKQASFPTISAFNENGAIIHYRASSETNKVIQKDGLYLIDSGGEYLDGTTDVTRTIAIGNPTNEQITHYTIVLKAHIALASAVFPSGTTGGELDTLARIHLWKFGIDYMHGTGHGVGSYLSVHEGPQSISKGNKVKLMPGMILSNEPGYYIPEKYGIRIENLMYVDKQENGFLSFKQLTSIPYDRGLIDVQMLTKDEIEWINSYHQFVYKSLENSVKNKEWLKKICASL
Complex: P6G_A_6(3CTZ) / Model_66(3CTZ/A) = [3.4] Download1198.20-14.24MSKIEEFRSFMCEIKVDAFMLHTKDEYLNGHSDELTKLCGFTGTHGLLIVTKDNKCPFFTDGRYITQARNQLDQDNFQVHNIQEENPYEWVKANLTLTTSLGYYLQYFTVKEIRKYEDICKLVPYSIKKEISRRKQTIVSHAVEHSGESSKSKCEKVAKSINKEAEAVLLTDSNSISWLLNLRNENAKYTPCILGCAILYKNGNVDLFIQDKEYSTIEANLGNHTNIFDISKLKSSLCKINSIIIDPNTTPMSIMAIIKNKQIVEREDPCLIYKAVKNQTEIAGAIKAHTRDGIAVTNFLHWLENNTSTELEAEEKILEYRKEQDLFKQASFPTISAFNENGAIIHYRASSETNKVIQKDGLYLIDSGGEYLDGTTDVTRTIAIGNPTNEQITHYTIVLKAHIALASAVFPSGTTGGELDTLARIHLWKFGIDYMHGTGHGVGSYLSVHEGPQSISKGNKVKLMPGMILSNEPGYYIPEKYGIRIENLMYVDKQENGFLSFKQLTSIPYDRGLIDVQMLTKDEIEWINSYHQFVYKSLENSVKNKEWLKKICASL
Complex: P6G_A_6(3CTZ) / Model_1(3CTZ/A) = [3.4] Download1176.54-14.24MSKIEEFRSFMCEIKVDAFMLHTKDEYLNGHSDELTKLCGFTGTHGLLIVTKDNKCPFFTDGRYITQARNQLDQDNFQVHNIQEENPYEWVKANLTLTTSLGYYLQYFTVKEIRKYEDICKLVPYSIKKEISRRKQTIVSHAVEHSGESSKSKCEKVAKSINKEAEAVLLTDSNSISWLLNLRNENAKYTPCILGCAILYKNGNVDLFIQDKEYSTIEANLGNHTNIFDISKLKSSLCKINSIIIDPNTTPMSIMAIIKNKQIVEREDPCLIYKAVKNQTEIAGAIKAHTRDGIAVTNFLHWLENNTSTELEAEEKILEYRKEQDLFKQASFPTISAFNENGAIIHYRASSETNKVIQKDGLYLIDSGGEYLDGTTDVTRTIAIGNPTNEQITHYTIVLKAHIALASAVFPSGTTGGELDTLARIHLWKFGIDYMHGTGHGVGSYLSVHEGPQSISKGNKVKLMPGMILSNEPGYYIPEKYGIRIENLMYVDKQENGFLSFKQLTSIPYDRGLIDVQMLTKDEIEWINSYHQFVYKSLENSVKNKEWLKKICASL
Consensus
[pKd Mean = 3.40]
-1158
(s=41)
-14
(s=0)
MSKIEEFRSFMCEIKVDAFMLHTKDEYLNGHSDELTKLCGFTGTHGLLIVTKDNKCPFFTDGRYITQARNQLDQDNFQVHNIQEENPYEWVKANLTLTTSLGYYLQYFTVKEIRKYEDICKLVPYSIKKEISRRKQTIVSHAVEHSGESSKSKCEKVAKSINKEAEAVLLTDSNSISWLLNLRNENAKYTPCILGCAILYKNGNVDLFIQDKEYSTIEANLGNHTNIFDISKLKSSLCKINSIIIDPNTTPMSIMAIIKNKQIVEREDPCLIYKAVKNQTEIAGAIKAHTRDGIAVTNFLHWLENNTSTELEAEEKILEYRKEQDLFKQASFPTISAFNENGAIIHYRASSETNKVIQKDGLYLIDSGGEYLDGTTDVTRTIAIGNPTNEQITHYTIVLKAHIALASAVFPSGTTGGELDTLARIHLWKFGIDYMHGTGHGVGSYLSVHEGPQSISKGNKVKLMPGMILSNEPGYYIPEKYGIRIENLMYVDKQENGFLSFKQLTSIPYDRGLIDVQMLTKDEIEWINSYHQFVYKSLENSVKNKEWLKKICASL