Study : bsu35730 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: UD1_A_2(4WAD) / Model_4(4WAD/A) = [5.2] Download1113.9912.88MSLHAVSESNIKQIPDMDYYFISGGLPSNYGGLTKSLLLRSKLFGEECNQNTFFLTFRFDLELSSKIDELYSNGKIDKKFTSVINLFDDFLSVRTNGKRSYEERIGLDQIKKQVGMGKFAKTLLRLFGKKNNEMSVVYYGDGETIRYVDYWNDKNQLIKREEYTKNGNLVLVTHYDVQLNKMYLQEYINDQNQVYLDKLYVWNNEEKDVQLSHIIWYSLEGEIKVKDESELRQYWIEYLQKQNDKPKLFLVDSRPQDKHVFKVKKSPSSYYGAIIHNKHYGSNKYQIKGRYKEVFSQMYNLDAVFFITEEQLEDFKLISGEQETFFFTPHTIDKPLDPAVLNVPSEKYKAVIISRLASMKNLIHAVKAFSLVVKEIPEAKLDIFGSGEDFEKIKKEIEDTKLQNNVFLKGYTDNPDSEFQKAWLTISTSHFEGFGLSNMEALSNGCPVVTYDYDYGARSLVTDGANGYVIEQYNIEKLGQAIISLMKDESTHQKFSEQAFKMAEKYSRPNYIENWAFALNQMIEVRIEREKFSKKVGKKDPSISSYTEDFDKTKIEIDIENFDHNDIKKIRLVGLDRKNKAEIISTNLQNDQLFVIDLEKDVNIEKIAANKTQVIDFYIVFNANGHIKTMRRLSSEETKLSGNSIDTNNGYRVEPYTTVKGNFSWRVTEIKES
Complex: UDP_A_3(4X7M) / Model_2(4X7M/A) = [6.3] Download1059.5411.94MSLHAVSESNIKQIPDMDYYFISGGLPSNYGGLTKSLLLRSKLFGEECNQNTFFLTFRFDLELSSKIDELYSNGKIDKKFTSVINLFDDFLSVRTNGKRSYEERIGLDQIKKQVGMGKFAKTLLRLFGKKNNEMSVVYYGDGETIRYVDYWNDKNQLIKREEYTKNGNLVLVTHYDVQLNKMYLQEYINDQNQVYLDKLYVWNNEEKDVQLSHIIWYSLEGEIKVKDESELRQYWIEYLQKQNDKPKLFLVDSRPQDKHVFKVKKSPSSYYGAIIHNKHYGSNKYQIKGRYKEVFSQMYNLDAVFFITEEQLEDFKLISGEQETFFFTPHTIDKPLDPAVLNVPSEKYKAVIISRLASMKNLIHAVKAFSLVVKEIPEAKLDIFGSGEDFEKIKKEIEDTKLQNNVFLKGYTDNPDSEFQKAWLTISTSHFEGFGLSNMEALSNGCPVVTYDYDYGARSLVTDGANGYVIEQYNIEKLGQAIISLMKDESTHQKFSEQAFKMAEKYSRPNYIENWAFALNQMIEVRIEREKFSKKVGKKDPSISSYTEDFDKTKIEIDIENFDHNDIKKIRLVGLDRKNKAEIISTNLQNDQLFVIDLEKDVNIEKIAANKTQVIDFYIVFNANGHIKTMRRLSSEETKLSGNSIDTNNGYRVEPYTTVKGNFSWRVTEIKES
Complex: UDP_A_3(4X7R) / Model_1(4X7R/A) = [7.6] Download813.1218.03MSLHAVSESNIKQIPDMDYYFISGGLPSNYGGLTKSLLLRSKLFGEECNQNTFFLTFRFDLELSSKIDELYSNGKIDKKFTSVINLFDDFLSVRTNGKRSYEERIGLDQIKKQVGMGKFAKTLLRLFGKKNNEMSVVYYGDGETIRYVDYWNDKNQLIKREEYTKNGNLVLVTHYDVQLNKMYLQEYINDQNQVYLDKLYVWNNEEKDVQLSHIIWYSLEGEIKVKDESELRQYWIEYLQKQNDKPKLFLVDSRPQDKHVFKVKKSPSSYYGAIIHNKHYGSNKYQIKGRYKEVFSQMYNLDAVFFITEEQLEDFKLISGEQETFFFTPHTIDKPLDPAVLNVPSEKYKAVIISRLASMKNLIHAVKAFSLVVKEIPEAKLDIFGSGEDFEKIKKEIEDTKLQNNVFLKGYTDNPDSEFQKAWLTISTSHFEGFGLSNMEALSNGCPVVTYDYDYGARSLVTDGANGYVIEQYNIEKLGQAIISLMKDESTHQKFSEQAFKMAEKYSRPNYIENWAFALNQMIEVRIEREKFSKKVGKKDPSISSYTEDFDKTKIEIDIENFDHNDIKKIRLVGLDRKNKAEIISTNLQNDQLFVIDLEKDVNIEKIAANKTQVIDFYIVFNANGHIKTMRRLSSEETKLSGNSIDTNNGYRVEPYTTVKGNFSWRVTEIKES
Consensus
[pKd Mean = 6.37]		-995
(s=130)		14
(s=2)		MSLHAVSESNIKQIPDMDYYFISGGLPSNYGGLTKSLLLRSKLFGEECNQNTFFLTFRFDLELSSKIDELYSNGKIDKKFTSVINLFDDFLSVRTNGKRSYEERIGLDQIKKQVGMGKFAKTLLRLFGKKNNEMSVVYYGDGETIRYVDYWNDKNQLIKREEYTKNGNLVLVTHYDVQLNKMYLQEYINDQNQVYLDKLYVWNNEEKDVQLSHIIWYSLEGEIKVKDESELRQYWIEYLQKQNDKPKLFLVDSRPQDKHVFKVKKSPSSYYGAIIHNKHYGSNKYQIKGRYKEVFSQMYNLDAVFFITEEQLEDFKLISGEQETFFFTPHTIDKPLDPAVLNVPSEKYKAVIISRLASMKNLIHAVKAFSLVVKEIPEAKLDIFGSGEDFEKIKKEIEDTKLQNNVFLKGYTDNPDSEFQKAWLTISTSHFEGFGLSNMEALSNGCPVVTYDYDYGARSLVTDGANGYVIEQYNIEKLGQAIISLMKDESTHQKFSEQAFKMAEKYSRPNYIENWAFALNQMIEVRIEREKFSKKVGKKDPSISSYTEDFDKTKIEIDIENFDHNDIKKIRLVGLDRKNKAEIISTNLQNDQLFVIDLEKDVNIEKIAANKTQVIDFYIVFNANGHIKTMRRLSSEETKLSGNSIDTNNGYRVEPYTTVKGNFSWRVTEIKES