Study : PA1538 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_A_3(2YLT) / Model_4(2YLT/A) = [10.1] Download1652.5033.46MYTPANNHNRSLAMSTQPTPAAARHCKVAIIGTGFSGLGMAIRLRQEGEDDFLIFEKDAGVGGTWRVNNYPGCACDVQSHVYSFSFEANPEWTRMFARQPEIRAYLEKCWEKYRLQEKTLLNTEIGKLAWDERQSLWHLHDAQGNHYTANAVVSGMGGLSTPAYPRLDGLENFQGKVFHSQQWDHDYDLKGKRVAVIGTGASAIQFVPEIQPLVAALDLYQRTPPWILPKPDRAISETERRRFRRFPLVQKLWRGGLYSLLEGRVLGFTFAPQVMKLVQRLAIRHIHKQIKDPELRRKVTPDYTIGCKRILMSHNYYPALAAANSTVITEGIRAVTANGIVDGNGREREVDAIIFGTGFTANDPIPRGVVFGRDGRDLLDSWSKGPEAYKGTTTAGFPNLFFLMGPNTGLGHNSMVYMIESQIAYVLDALKLMKRRELLSLEVKAPVQERYNEYLQRKLDRSVWSVGGCKSWYLHPVSGRNCTLWPGFTWRFRALTRQFDASAYHLTTTPLAALSNEARQQAEGVPA
Complex: N01_A_3(4C74) / Model_5(4C74/A) = [10.4] Download1783.5332.43MYTPANNHNRSLAMSTQPTPAAARHCKVAIIGTGFSGLGMAIRLRQEGEDDFLIFEKDAGVGGTWRVNNYPGCACDVQSHVYSFSFEANPEWTRMFARQPEIRAYLEKCWEKYRLQEKTLLNTEIGKLAWDERQSLWHLHDAQGNHYTANAVVSGMGGLSTPAYPRLDGLENFQGKVFHSQQWDHDYDLKGKRVAVIGTGASAIQFVPEIQPLVAALDLYQRTPPWILPKPDRAISETERRRFRRFPLVQKLWRGGLYSLLEGRVLGFTFAPQVMKLVQRLAIRHIHKQIKDPELRRKVTPDYTIGCKRILMSHNYYPALAAANSTVITEGIRAVTANGIVDGNGREREVDAIIFGTGFTANDPIPRGVVFGRDGRDLLDSWSKGPEAYKGTTTAGFPNLFFLMGPNTGLGHNSMVYMIESQIAYVLDALKLMKRRELLSLEVKAPVQERYNEYLQRKLDRSVWSVGGCKSWYLHPVSGRNCTLWPGFTWRFRALTRQFDASAYHLTTTPLAALSNEARQQAEGVPA
Consensus
[pKd Mean = 10.25]
-1718
(s=65)
32
(s=1)
MYTPANNHNRSLAMSTQPTPAAARHCKVAIIGTGFSGLGMAIRLRQEGEDDFLIFEKDAGVGGTWRVNNYPGCACDVQSHVYSFSFEANPEWTRMFARQPEIRAYLEKCWEKYRLQEKTLLNTEIGKLAWDERQSLWHLHDAQGNHYTANAVVSGMGGLSTPAYPRLDGLENFQGKVFHSQQWDHDYDLKGKRVAVIGTGASAIQFVPEIQPLVAALDLYQRTPPWILPKPDRAISETERRRFRRFPLVQKLWRGGLYSLLEGRVLGFTFAPQVMKLVQRLAIRHIHKQIKDPELRRKVTPDYTIGCKRILMSHNYYPALAAANSTVITEGIRAVTANGIVDGNGREREVDAIIFGTGFTANDPIPRGVVFGRDGRDLLDSWSKGPEAYKGTTTAGFPNLFFLMGPNTGLGHNSMVYMIESQIAYVLDALKLMKRRELLSLEVKAPVQERYNEYLQRKLDRSVWSVGGCKSWYLHPVSGRNCTLWPGFTWRFRALTRQFDASAYHLTTTPLAALSNEARQQAEGVPA