Study : jhp_1469 (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: HIS_B_7(4LS3) / Model_22(4LS3/B) = [3.1] Download4739.1529.39MLVTRFKKAFISYSLGVLVVSLLLNVCNASAQEVKVKDYFGEQTIKLPVSKIAYIGSYVEVPAMLNVWDRVVGVSDYAFKDDIVKATLKGEDLKRVKHMSTDHTAALNVELLKKLSPDLVVTFVGNPKAVEHAKKFGISFLSFQETTIAEAMQAMQAQATVLEIDASKKFAKMQETLDFIAERLKGVKKKKGVELFHKANKISGHQAISSDILEKGGIDNFGLKYVKFGRADISVEKIVKENPEIIFIWWVSPLTPEDVLNNPKFSTIKAIKNKQVYKLPTMDIGGPRAPLISLFIALKAHPEAFKGVDINAIVKDYYKVVFDLNDAEIEPFLWH
Complex: HIS_B_6(4LS3) / Model_22(4LS3/B) = [3.8] Download4505.1227.12MLVTRFKKAFISYSLGVLVVSLLLNVCNASAQEVKVKDYFGEQTIKLPVSKIAYIGSYVEVPAMLNVWDRVVGVSDYAFKDDIVKATLKGEDLKRVKHMSTDHTAALNVELLKKLSPDLVVTFVGNPKAVEHAKKFGISFLSFQETTIAEAMQAMQAQATVLEIDASKKFAKMQETLDFIAERLKGVKKKKGVELFHKANKISGHQAISSDILEKGGIDNFGLKYVKFGRADISVEKIVKENPEIIFIWWVSPLTPEDVLNNPKFSTIKAIKNKQVYKLPTMDIGGPRAPLISLFIALKAHPEAFKGVDINAIVKDYYKVVFDLNDAEIEPFLWH
Consensus
[pKd Mean = 3.45]
-4622
(s=117)
28
(s=1)
MLVTRFKKAFISYSLGVLVVSLLLNVCNASAQEVKVKDYFGEQTIKLPVSKIAYIGSYVEVPAMLNVWDRVVGVSDYAFKDDIVKATLKGEDLKRVKHMSTDHTAALNVELLKKLSPDLVVTFVGNPKAVEHAKKFGISFLSFQETTIAEAMQAMQAQATVLEIDASKKFAKMQETLDFIAERLKGVKKKKGVELFHKANKISGHQAISSDILEKGGIDNFGLKYVKFGRADISVEKIVKENPEIIFIWWVSPLTPEDVLNNPKFSTIKAIKNKQVYKLPTMDIGGPRAPLISLFIALKAHPEAFKGVDINAIVKDYYKVVFDLNDAEIEPFLWH