Study : PA1584 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: E23_C_10(4YTP) / Model_11(4YTP/B) = [3.1] Download689.7710.00MLQVSVYRYNPDKDAAPYMQDFQVDTNGKDVMVLDVLALIKEQDEGFSYRRSCREGVCGSDGMNINGKNGLACITPLSAAGLKGGKLVIRPLPGLPVIRDLVVDMSIFYKQYEKVKPFLQNDTPAPAIERLQTPEEREKLDGLYECILCACCSTSCPSFWWNPDKFLGPAALLQAYRFLADSRDTKTEERLASLDDPFSVFRCRGIMNCVNVCPKGLNPTKAIGHVRNMLLQSGT
Complex: F3S_B_9(3SFE) / Model_43(3SFE/B) = [3.2] Download27.2931.57MLQVSVYRYNPDKDAAPYMQDFQVDTNGKDVMVLDVLALIKEQDEGFSYRRSCREGVCGSDGMNINGKNGLACITPLSAAGLKGGKLVIRPLPGLPVIRDLVVDMSIFYKQYEKVKPFLQNDTPAPAIERLQTPEEREKLDGLYECILCACCSTSCPSFWWNPDKFLGPAALLQAYRFLADSRDTKTEERLASLDDPFSVFRCRGIMNCVNVCPKGLNPTKAIGHVRNMLLQSGT
Complex: F3S_B_8(3AE3) / Model_15(3AE3/B) = [3.3] Download46.4811.38MLQVSVYRYNPDKDAAPYMQDFQVDTNGKDVMVLDVLALIKEQDEGFSYRRSCREGVCGSDGMNINGKNGLACITPLSAAGLKGGKLVIRPLPGLPVIRDLVVDMSIFYKQYEKVKPFLQNDTPAPAIERLQTPEEREKLDGLYECILCACCSTSCPSFWWNPDKFLGPAALLQAYRFLADSRDTKTEERLASLDDPFSVFRCRGIMNCVNVCPKGLNPTKAIGHVRNMLLQSGT
Complex: F3S_B_8(1ZP0) / Model_45(1ZP0/B) = [3.3] Download16.84-0.25MLQVSVYRYNPDKDAAPYMQDFQVDTNGKDVMVLDVLALIKEQDEGFSYRRSCREGVCGSDGMNINGKNGLACITPLSAAGLKGGKLVIRPLPGLPVIRDLVVDMSIFYKQYEKVKPFLQNDTPAPAIERLQTPEEREKLDGLYECILCACCSTSCPSFWWNPDKFLGPAALLQAYRFLADSRDTKTEERLASLDDPFSVFRCRGIMNCVNVCPKGLNPTKAIGHVRNMLLQSGT
Complex: F3S_B_8(3AEC) / Model_39(3AEC/B) = [3.4] Download43.3526.38MLQVSVYRYNPDKDAAPYMQDFQVDTNGKDVMVLDVLALIKEQDEGFSYRRSCREGVCGSDGMNINGKNGLACITPLSAAGLKGGKLVIRPLPGLPVIRDLVVDMSIFYKQYEKVKPFLQNDTPAPAIERLQTPEEREKLDGLYECILCACCSTSCPSFWWNPDKFLGPAALLQAYRFLADSRDTKTEERLASLDDPFSVFRCRGIMNCVNVCPKGLNPTKAIGHVRNMLLQSGT
Consensus
[pKd Mean = 3.26]
-164
(s=262)
15
(s=11)
MLQVSVYRYNPDKDAAPYMQDFQVDTNGKDVMVLDVLALIKEQDEGFSYRRSCREGVCGSDGMNINGKNGLACITPLSAAGLKGGKLVIRPLPGLPVIRDLVVDMSIFYKQYEKVKPFLQNDTPAPAIERLQTPEEREKLDGLYECILCACCSTSCPSFWWNPDKFLGPAALLQAYRFLADSRDTKTEERLASLDDPFSVFRCRGIMNCVNVCPKGLNPTKAIGHVRNMLLQSGT