Study : bsu18560 (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: KMT_A_3(4LCE) / Model_35(4LCE/A) = [3.3] Download1261.0920.40MKNTMKRMFCSMTVLVTAPYNEEGRKELENLFGSVAYQSWKEQGRAYREDELIQLLKATNATGLITELDQVTDSVFASVPELSFVGVCRGMPSNVDVAAASKRGIPVFYTPGRNAQAVAEMFIGNVISFLRHTSASNQWLKDGEWDSDYLQAYVKFKGNELTGKTVGMIGFGAVGQRIAKLLTAFDCKIKYYDPYIQDDHPLYEKASLKTVFSDSDIVSVHLPRTEETLGLIDRQYFDLMKESAIFVNTSRAVVVNREDLLFVLKEHKISGAILDVFYHEPPEESDYELISLPNVLATPHLAGATFEVEDHHVTILNKALKKWKGEKTLNIQTMYNKDALKTGG
Complex: ACY_C_3(1MX3) / Model_36(1MX3/A) = [3.8] Download558.6615.08MKNTMKRMFCSMTVLVTAPYNEEGRKELENLFGSVAYQSWKEQGRAYREDELIQLLKATNATGLITELDQVTDSVFASVPELSFVGVCRGMPSNVDVAAASKRGIPVFYTPGRNAQAVAEMFIGNVISFLRHTSASNQWLKDGEWDSDYLQAYVKFKGNELTGKTVGMIGFGAVGQRIAKLLTAFDCKIKYYDPYIQDDHPLYEKASLKTVFSDSDIVSVHLPRTEETLGLIDRQYFDLMKESAIFVNTSRAVVVNREDLLFVLKEHKISGAILDVFYHEPPEESDYELISLPNVLATPHLAGATFEVEDHHVTILNKALKKWKGEKTLNIQTMYNKDALKTGG
Complex: NAD_D_4(1WWK) / Model_21(1WWK/B) = [7.5] Download1573.4827.81MKNTMKRMFCSMTVLVTAPYNEEGRKELENLFGSVAYQSWKEQGRAYREDELIQLLKATNATGLITELDQVTDSVFASVPELSFVGVCRGMPSNVDVAAASKRGIPVFYTPGRNAQAVAEMFIGNVISFLRHTSASNQWLKDGEWDSDYLQAYVKFKGNELTGKTVGMIGFGAVGQRIAKLLTAFDCKIKYYDPYIQDDHPLYEKASLKTVFSDSDIVSVHLPRTEETLGLIDRQYFDLMKESAIFVNTSRAVVVNREDLLFVLKEHKISGAILDVFYHEPPEESDYELISLPNVLATPHLAGATFEVEDHHVTILNKALKKWKGEKTLNIQTMYNKDALKTGG
Consensus
[pKd Mean = 4.87]
-1131
(s=424)
21
(s=5)
MKNTMKRMFCSMTVLVTAPYNEEGRKELENLFGSVAYQSWKEQGRAYREDELIQLLKATNATGLITELDQVTDSVFASVPELSFVGVCRGMPSNVDVAAASKRGIPVFYTPGRNAQAVAEMFIGNVISFLRHTSASNQWLKDGEWDSDYLQAYVKFKGNELTGKTVGMIGFGAVGQRIAKLLTAFDCKIKYYDPYIQDDHPLYEKASLKTVFSDSDIVSVHLPRTEETLGLIDRQYFDLMKESAIFVNTSRAVVVNREDLLFVLKEHKISGAILDVFYHEPPEESDYELISLPNVLATPHLAGATFEVEDHHVTILNKALKKWKGEKTLNIQTMYNKDALKTGG